data_2nbw_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 2nbw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.438 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.438 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.413 ' OE1' ' OH ' ' A' ' 574' ' ' TYR . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 584' ' ' VAL . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' SER . . . . . 0.512 ' OG ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.512 ' NE2' ' OG ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.505 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.587 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.553 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.68 ' N ' HD13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.593 ' O ' ' OG1' ' B' ' 29' ' ' THR . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.606 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.623 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.628 HG23 ' C ' ' B' ' 49' ' ' LYS . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.628 ' C ' HG23 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.591 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' B' ' 60' ' ' CYS . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.487 ' HG ' ' CD1' ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.525 ' HB2' HG12 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.705 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.705 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.587 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.567 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.441 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.457 ' SG ' ' OE1' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.567 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' A' ' 561' ' ' ASP . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.555 ' N ' ' HG1' ' A' ' 560' ' ' THR . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.457 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 14.4 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 582' ' ' ASP . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.462 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.563 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.55 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' B' ' 70' ' ' PHE . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.452 ' C ' HD21 ' B' ' 8' ' ' ASN . 0.2 OUTLIER -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.446 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' SER . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.404 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' B' ' 21' ' ' SER . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.524 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' B' ' 29' ' ' THR . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.47 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.657 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.536 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.526 ' O ' ' CG2' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.541 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.635 HG22 ' C ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.418 ' H ' HG22 ' B' ' 45' ' ' ILE . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.635 ' C ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' B' ' 44' ' ' LEU . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.521 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.427 ' H ' ' HG1' ' B' ' 56' ' ' THR . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.418 ' HB2' HG11 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.576 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.55 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.536 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.512 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.483 ' N ' HD22 ' A' ' 502' ' ' ASN . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 504' ' ' GLU . 0.9 OUTLIER -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 510' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.461 ' SD ' ' C ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.448 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.516 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.456 ' C ' ' HG ' ' B' ' 3' ' ' SER . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.656 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.604 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.507 ' N ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.47 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.569 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.529 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.555 ' HZ2' ' HG ' ' B' ' 73' ' ' SER . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 51' ' ' LEU . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.676 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.676 ' C ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.594 ' N ' HG22 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 44' ' ' LEU . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' B' ' 55' ' ' LYS . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.607 ' N ' ' OG1' ' B' ' 56' ' ' THR . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' B' ' 56' ' ' THR . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.444 ' HB2' HG11 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.641 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.641 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.604 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.401 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.555 ' HG ' ' HZ2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' B' ' 75' ' ' LYS . 13.2 mm100 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 74' ' ' GLN . 41.0 mmtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.527 ' C ' ' H ' ' A' ' 499' ' ' GLY . 20.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.476 ' HG ' ' H ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.476 ' H ' ' HG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 520' ' ' ILE . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.412 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.559 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 569' ' ' ALA . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 572' ' ' ILE . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.421 ' CG ' ' H ' ' A' ' 578' ' ' GLY . 0.9 OUTLIER -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 577' ' ' GLN . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' A' ' 587' ' ' THR . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 584' ' ' VAL . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' A' ' 589' ' ' SER . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.537 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.634 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.7 ' N ' HD13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.431 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 25.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.6 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 51' ' ' LEU . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.672 HG23 ' C ' ' B' ' 49' ' ' LYS . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.672 ' C ' HG23 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.64 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 44' ' ' LEU . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.514 ' HB2' HG11 ' B' ' 57' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.624 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.624 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.577 ' CG ' ' NZ ' ' B' ' 63' ' ' LYS . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.582 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 499' ' ' GLY . 1.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.492 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.492 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.506 ' N ' HD21 ' A' ' 539' ' ' ASN . 0.9 OUTLIER -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.455 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.555 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.492 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.5 t60 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.613 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.581 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.499 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.696 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.459 ' HZ2' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.475 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.571 ' O ' ' OG1' ' B' ' 29' ' ' THR . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.571 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.608 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' LEU . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.695 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . 0.434 ' CE1' HD23 ' B' ' 62' ' ' LEU . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.695 ' C ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.653 ' N ' HG22 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' B' ' 50' ' ' VAL . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 6.5 mm100 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.417 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.542 ' N ' ' OG1' ' B' ' 56' ' ' THR . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.486 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.573 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.613 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.581 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.565 ' O ' ' O ' ' B' ' 45' ' ' ILE . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.537 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.868 0.365 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 547' ' ' MET . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.533 ' C ' ' H ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 597' ' ' SER . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 599' ' ' ILE . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.557 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' B' ' 8' ' ' ASN . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.512 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.423 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' B' ' 56' ' ' THR . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.536 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.599 ' O ' ' OG1' ' B' ' 29' ' ' THR . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.413 HG21 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.599 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' B' ' 30' ' ' LYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.436 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.533 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.66 HG23 ' C ' ' B' ' 49' ' ' LYS . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.66 ' C ' HG23 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.6 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.53 ' N ' ' OG1' ' B' ' 56' ' ' THR . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.416 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.64 ' NZ ' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.64 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.548 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.557 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 71' ' ' MET . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.42 HE22 ' HB3' ' A' ' 510' ' ' LEU . 4.9 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.531 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.5 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.446 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.562 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' H ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.466 ' H ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 15.0 mm100 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 605' ' ' SER . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 602' ' ' LEU . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.567 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.618 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.684 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.404 HG21 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.579 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.489 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.683 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.699 HG22 ' C ' ' B' ' 49' ' ' LYS . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.699 ' C ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.653 ' N ' HG22 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.53 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.53 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.62 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.62 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.567 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.422 ' OE1' ' OG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.875 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 523' ' ' ALA . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.407 ' N ' ' HG1' ' A' ' 522' ' ' THR . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.407 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 44.8 m-80 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 546' ' ' ILE . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.498 ' N ' HD21 ' A' ' 549' ' ' ASN . 1.7 m120 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.504 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 25.8 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.429 HG23 HD11 ' A' ' 588' ' ' ILE . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.415 ' CD1' ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.571 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.58 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.508 ' HB3' ' CD1' ' B' ' 70' ' ' PHE . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.65 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 3' ' ' SER . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.926 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.572 ' O ' ' OG1' ' B' ' 29' ' ' THR . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.459 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.926 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.418 ' NZ ' ' OG ' ' B' ' 73' ' ' SER . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.459 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.648 HG21 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.648 ' C ' HG21 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.574 ' N ' HG21 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.547 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.547 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.673 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.673 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.58 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.332 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 502' ' ' ASN . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 500' ' ' SER . 87.6 m-20 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 508' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 520' ' ' ILE . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.535 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.487 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.652 ' N ' HD12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.502 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.537 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.484 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.523 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.502 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.643 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.643 ' C ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.608 ' N ' HG22 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.585 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.585 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.537 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 58.3 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 510' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 506' ' ' LEU . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.613 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.613 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.535 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.441 ' OG1' ' OH ' ' A' ' 574' ' ' TYR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 549' ' ' ASN . 2.3 m120 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.45 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.46 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.573 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.456 ' CD2' ' HG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.615 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.456 ' HG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' CYS . . . . . 0.588 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.487 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' LEU . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.681 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.681 ' C ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.589 ' N ' HG22 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 44' ' ' LEU . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.521 ' H ' ' HG1' ' B' ' 56' ' ' THR . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' B' ' 56' ' ' THR . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.509 ' HB2' HG12 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.573 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.56 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.12 138.32 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.94 153.64 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 15.1 pt -72.0 -30.24 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.7 m -62.5 -55.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.1 t -57.25 -37.95 73.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.74 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 490' ' ' ILE . 13.5 mm -47.18 -30.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.49 -58.71 6.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.65 -57.11 11.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 493' ' ' LEU . 10.8 mp -54.34 -38.58 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.511 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.99 36.48 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.08 -16.83 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.592 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -69.87 -56.78 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 -48.59 -47.83 39.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.487 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.438 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.438 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.559 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.413 ' OE1' ' OH ' ' A' ' 574' ' ' TYR . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 584' ' ' VAL . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . 0.512 ' OG ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.512 ' NE2' ' OG ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.19 -101.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -63.31 90.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.1 m -56.51 -36.0 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.88 67.09 2.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 84.4 m -77.47 99.41 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.958 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.505 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.587 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.553 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.68 ' N ' HD13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.593 ' O ' ' OG1' ' B' ' 29' ' ' THR . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.606 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.623 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.628 HG23 ' C ' ' B' ' 49' ' ' LYS . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.628 ' C ' HG23 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.591 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' B' ' 60' ' ' CYS . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.487 ' HG ' ' CD1' ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.525 ' HB2' HG12 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.705 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.705 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.587 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.567 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 116.04 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 77' ' ' SER . 82.2 mttt -59.35 -27.39 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 76' ' ' LYS . 4.7 m 59.93 125.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.5 t -162.4 -17.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -72.21 -19.82 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 tt -48.17 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -68.9 -54.7 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 66.4 m -53.46 -44.76 69.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.0 73.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.62 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 11.0 mm -73.11 -34.49 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.9 tp -54.45 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.56 -61.02 6.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.87 -28.01 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -59.51 -67.03 2.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.29 0.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.525 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -83.86 -72.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -73.28 27.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.441 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.457 ' SG ' ' OE1' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.567 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' A' ' 561' ' ' ASP . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.555 ' N ' ' HG1' ' A' ' 560' ' ' THR . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.457 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 14.4 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 582' ' ' ASP . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.94 141.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 46.87 -96.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 67.2 p -69.0 70.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -60.03 103.75 0.5 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' THR . . . . . 0.546 ' HG1' ' H ' ' A' ' 612' ' ' GLY . 36.9 p -52.76 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.546 ' H ' ' HG1' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.219 -0.84 0 CA-C-O 118.07 -1.405 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.462 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.563 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.55 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' B' ' 70' ' ' PHE . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.452 ' C ' HD21 ' B' ' 8' ' ' ASN . 0.2 OUTLIER -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.446 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' SER . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.404 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.537 ' C ' ' O ' ' B' ' 21' ' ' SER . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.524 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' B' ' 29' ' ' THR . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.47 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.657 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.536 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.526 ' O ' ' CG2' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.541 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.635 HG22 ' C ' ' B' ' 49' ' ' LYS . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.418 ' H ' HG22 ' B' ' 45' ' ' ILE . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.635 ' C ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' B' ' 44' ' ' LEU . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.521 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.652 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.427 ' H ' ' HG1' ' B' ' 56' ' ' THR . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.418 ' HB2' HG11 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.576 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.576 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.55 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.536 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -62.76 93.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.69 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -161.42 -92.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.598 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 8.5 m -68.87 137.61 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -47.15 128.19 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.4 pt -51.48 -18.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' ALA . 11.2 t -67.4 -77.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 m -45.02 -31.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.21 62.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -69.21 -52.2 30.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 494' ' ' GLY . 10.5 mm -60.25 -28.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 494' ' ' GLY . 18.5 tp -64.04 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.52 -51.76 6.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 9.6 mp -79.6 -9.01 59.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.481 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -65.03 -36.67 93.32 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.3 pt -103.63 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -87.77 6.86 33.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 0.7 OUTLIER -44.65 -50.5 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.483 ' N ' HD22 ' A' ' 502' ' ' ASN . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 504' ' ' GLU . 0.9 OUTLIER -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 510' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.461 ' SD ' ' C ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.448 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.516 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 609' ' ' THR . . . -161.48 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -73.09 37.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 607' ' ' ALA . 7.6 m -80.44 59.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -69.24 143.01 38.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -0.57 32.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 CA-C-O 117.919 -1.49 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.456 ' C ' ' HG ' ' B' ' 3' ' ' SER . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.656 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.604 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.507 ' N ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.47 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.569 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.529 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.555 ' HZ2' ' HG ' ' B' ' 73' ' ' SER . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 51' ' ' LEU . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.676 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.676 ' C ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.594 ' N ' HG22 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 44' ' ' LEU . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.531 ' OE1' ' NZ ' ' B' ' 55' ' ' LYS . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.531 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.634 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.607 ' N ' ' OG1' ' B' ' 56' ' ' THR . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' B' ' 56' ' ' THR . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.444 ' HB2' HG11 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.641 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.641 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.604 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.467 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.401 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.555 ' HG ' ' HZ2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 76' ' ' LYS . 13.2 mm100 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 74' ' ' GLN . 41.0 mmtt -34.28 92.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 74' ' ' GLN . 49.6 mtpt -57.46 163.68 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.9 p -160.81 79.51 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.537 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.446 ' CG2' ' H ' ' A' ' 484' ' ' LYS . 2.6 m 48.56 -132.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.549 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.446 ' H ' ' CG2' ' A' ' 483' ' ' THR . 83.4 tttt -160.93 -56.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.91 -35.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.8 p -55.19 -67.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 45.4 m -48.33 -43.16 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.27 75.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.57 -71.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 490' ' ' ILE . 12.9 mm -47.17 -30.4 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 494' ' ' GLY . 17.6 tp -63.26 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.21 -56.53 6.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.52 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 10.5 mp -62.21 -18.54 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -62.62 -50.58 62.98 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 71.3 mt -79.15 -12.75 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -67.68 -55.67 12.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.527 ' C ' ' H ' ' A' ' 499' ' ' GLY . 20.4 m-85 -42.82 -67.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.476 ' HG ' ' H ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.476 ' H ' ' HG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 520' ' ' ILE . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.412 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.559 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 569' ' ' ALA . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 572' ' ' ILE . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.421 ' CG ' ' H ' ' A' ' 578' ' ' GLY . 0.9 OUTLIER -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 577' ' ' GLN . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.443 ' O ' ' OG1' ' A' ' 587' ' ' THR . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 584' ' ' VAL . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' A' ' 589' ' ' SER . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.47 179.58 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 40.5 p90 -77.38 120.49 22.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 35.1 p -70.7 142.22 51.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -72.97 -110.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -78.04 148.8 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.853 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.537 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.404 ' CD1' HD13 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.634 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.7 ' N ' HD13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.431 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 25.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.6 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' B' ' 51' ' ' LEU . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.672 HG23 ' C ' ' B' ' 49' ' ' LYS . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.672 ' C ' HG23 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.64 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 44' ' ' LEU . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.514 ' HB2' HG11 ' B' ' 57' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.624 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.624 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.577 ' CG ' ' NZ ' ' B' ' 63' ' ' LYS . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.582 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.423 HE22 ' HZ3' ' B' ' 76' ' ' LYS . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp -51.55 113.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.423 ' HZ3' HE22 ' B' ' 74' ' ' GLN . 53.4 mttp -65.81 143.87 57.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.2 t -60.69 -11.62 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.59 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.2 m -163.93 74.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -173.48 175.3 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 74.7 mt -49.58 -53.08 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 73.7 m -45.93 -50.32 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 10.4 t -48.97 -55.33 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.53 -29.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -74.8 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 490' ' ' ILE . 16.1 mm -43.48 -50.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 46.2 mt -56.34 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.34 -71.31 0.43 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 11.0 mp -47.43 -38.69 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.437 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.14 -37.22 23.22 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -78.83 -28.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.505 ' C ' ' H ' ' A' ' 499' ' ' GLY . 1.8 m-85 -55.31 -54.09 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.492 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.492 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.506 ' N ' HD21 ' A' ' 539' ' ' ASN . 0.9 OUTLIER -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.455 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.555 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.555 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.492 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.5 t60 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -167.84 -116.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 610' ' ' GLY . 8.2 m-85 -78.76 69.81 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -55.97 81.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 51.03 -174.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.7 t -74.34 19.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.613 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.581 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.499 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.696 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.459 ' HZ2' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.475 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.571 ' O ' ' OG1' ' B' ' 29' ' ' THR . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.571 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.608 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.607 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' LEU . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.695 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . 0.434 ' CE1' HD23 ' B' ' 62' ' ' LEU . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.695 ' C ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.653 ' N ' HG22 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' B' ' 50' ' ' VAL . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 6.5 mm100 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.417 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.542 ' N ' ' OG1' ' B' ' 56' ' ' THR . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.486 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.573 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.613 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.581 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.565 ' O ' ' O ' ' B' ' 45' ' ' ILE . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.537 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 76' ' ' LYS . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -57.76 78.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 74' ' ' GLN . 53.9 mtpt -56.36 -24.1 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -163.72 87.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.3 m -58.77 -35.16 72.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 53.77 58.57 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.31 -24.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 487' ' ' SER . 88.5 p -61.04 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 488' ' ' ALA . 26.3 p -54.38 -45.9 72.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 487' ' ' SER . . . -48.65 -35.2 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.52 -70.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.7 mm -48.25 -23.51 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.22 -75.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.87 -33.29 1.62 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.3 tp -76.37 -43.75 39.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.22 60.47 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 14.3 tt -83.73 -24.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.575 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -56.31 -69.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.5 p90 -80.02 27.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.565 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 547' ' ' MET . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.533 ' C ' ' H ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 597' ' ' SER . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 599' ' ' ILE . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 61.57 -144.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 23.3 p90 -154.08 106.89 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 48.1 p -79.22 156.74 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.08 85.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 4.9 t -62.03 162.53 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.557 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' B' ' 8' ' ' ASN . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.512 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.423 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' B' ' 56' ' ' THR . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.536 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.599 ' O ' ' OG1' ' B' ' 29' ' ' THR . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.413 HG21 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.599 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' B' ' 30' ' ' LYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.436 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.533 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.66 HG23 ' C ' ' B' ' 49' ' ' LYS . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.66 ' C ' HG23 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.6 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.53 ' N ' ' OG1' ' B' ' 56' ' ' THR . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.416 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.64 ' NZ ' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.64 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.548 ' O ' ' NZ ' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.557 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 71' ' ' MET . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' B' ' 76' ' ' LYS . 4.9 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt -39.53 90.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' B' ' 74' ' ' GLN . 43.4 mttm -71.59 159.81 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -71.72 -70.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.579 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.584 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.0 t -171.42 21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -164.72 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 485' ' ' ILE . 9.8 mm -66.54 -17.95 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.9 m -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -46.86 -46.51 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.91 -43.44 39.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.62 -54.37 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 490' ' ' ILE . 12.4 mm -53.91 -39.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.9 tp -57.07 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -61.97 4.72 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 5.2 tp -44.19 -41.64 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.94 -58.12 16.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.74 12.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.308 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -92.45 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 40.1 p90 -79.19 16.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.531 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.5 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.577 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.446 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.562 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' H ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.466 ' H ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 15.0 mm100 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 605' ' ' SER . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 602' ' ' LEU . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 178.88 -173.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -83.1 9.31 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 20.3 m -58.95 114.23 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 612' ' ' GLY . . . 67.88 102.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 612' ' ' GLY . 69.7 p 48.34 -90.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.002 -1.443 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.567 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.618 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.684 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.404 HG21 ' N ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.579 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.489 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.683 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.699 HG22 ' C ' ' B' ' 49' ' ' LYS . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.699 ' C ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.653 ' N ' HG22 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.53 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.53 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.62 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.62 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.567 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.422 ' OE1' ' OG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 77' ' ' SER . 0.0 OUTLIER -43.15 107.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -75.21 27.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.517 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 75' ' ' LYS . 4.0 m -67.1 114.65 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 484' ' ' LYS . 2.8 t -165.05 40.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 483' ' ' THR . 48.6 mttm 55.12 108.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.66 -41.15 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 13.7 t -53.88 -65.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.498 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 39.3 t -44.44 -58.51 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -43.95 -36.27 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.33 -61.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -44.11 -68.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.3 mt -45.56 -30.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.44 99.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 497' ' ' PHE . 13.9 mt -69.4 -30.76 68.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.97 -44.78 97.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 495' ' ' ILE . 96.2 mt -75.06 -49.33 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -80.7 7.09 11.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 493' ' ' LEU . 31.6 t80 -45.12 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 523' ' ' ALA . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.407 ' N ' ' HG1' ' A' ' 522' ' ' THR . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.407 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 44.8 m-80 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 546' ' ' ILE . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.498 ' N ' HD21 ' A' ' 549' ' ' ASN . 1.7 m120 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.504 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 25.8 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.429 HG23 HD11 ' A' ' 588' ' ' ILE . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.415 ' CD1' ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -164.04 -70.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -72.47 -60.89 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.6 t -77.54 139.09 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.69 168.05 23.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 14.4 p 46.69 52.67 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.929 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.571 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.58 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.508 ' HB3' ' CD1' ' B' ' 70' ' ' PHE . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.65 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 3' ' ' SER . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 17' ' ' ASP . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.926 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.572 ' O ' ' OG1' ' B' ' 29' ' ' THR . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.459 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.926 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.632 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.418 ' NZ ' ' OG ' ' B' ' 73' ' ' SER . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.459 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.648 HG21 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.648 ' C ' HG21 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.574 ' N ' HG21 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.547 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.547 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.673 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.673 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.571 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.58 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt 22.42 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.479 ' NZ ' ' CB ' ' B' ' 76' ' ' LYS . 9.2 mtmp? -57.72 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.469 ' C ' ' HG1' ' B' ' 78' ' ' THR . 33.1 t -166.17 -171.55 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.469 ' HG1' ' C ' ' B' ' 77' ' ' SER . 4.9 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.602 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 85.7 m -59.58 -54.16 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -166.65 -35.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 83.6 mt -46.39 -43.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 58.5 p -62.17 -56.38 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 t -48.37 -49.37 34.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.46 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.32 -54.24 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.416 HG23 HD12 ' A' ' 490' ' ' ILE . 10.3 mm -64.0 -31.91 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.89 -68.38 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 496' ' ' ALA . . . -55.89 -51.19 56.98 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.3 tp -46.6 -44.67 18.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.83 -50.95 60.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.96 -4.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.9 -68.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.711 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.7 p90 -71.85 15.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 502' ' ' ASN . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 500' ' ' SER . 87.6 m-20 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 508' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 520' ' ' ILE . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.535 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.84 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 49.3 p90 -160.48 129.35 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -77.29 -18.71 57.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 59.95 -147.81 43.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 6.1 t -67.3 153.83 42.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.729 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.487 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.652 ' N ' HD12 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.502 ' CG2' ' CD2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.537 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.484 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.523 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.502 ' CD2' ' CG2' ' B' ' 27' ' ' THR . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.643 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.643 ' C ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.608 ' N ' HG22 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.585 ' SG ' ' HG ' ' B' ' 62' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.585 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.537 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 58.3 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt 7.81 -114.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' B' ' 78' ' ' THR . 55.3 mttp -93.05 -166.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 27.7 t 51.06 -90.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.453 ' N ' ' O ' ' B' ' 76' ' ' LYS . 20.1 p . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 80.5 p -75.52 -19.52 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -49.66 133.85 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 84.8 mt -54.9 -34.75 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.1 m -57.7 -48.27 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' A' ' 488' ' ' ALA . 87.6 p -66.57 -52.97 39.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . 0.475 ' N ' ' HG ' ' A' ' 487' ' ' SER . . . -53.41 -37.6 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.92 -71.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.6 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 84.6 mt -45.68 -29.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.39 -51.58 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.477 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.78 78.33 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 493' ' ' LEU . 8.4 mp -62.91 -33.69 75.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.53 85.74 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.99 -6.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -76.91 -76.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -92.02 27.7 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 510' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 506' ' ' LEU . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.613 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.613 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.535 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.535 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.441 ' OG1' ' OH ' ' A' ' 574' ' ' TYR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 549' ' ' ASN . 2.3 m120 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.45 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.406 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.0 161.55 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -47.29 147.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 41.0 p -48.35 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -160.99 -128.47 0.95 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.3 m -162.0 120.23 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.98 -1.456 . . . . 0.0 110.929 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.46 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.573 ' CD2' ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 6' ' ' PHE . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 15' ' ' PRO . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.456 ' CD2' ' HG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' B' ' 56' ' ' THR . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.615 HD11 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.456 ' HG1' ' CD2' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' CYS . . . . . 0.588 ' O ' ' CB ' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' B' ' 77' ' ' SER . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.487 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 51' ' ' LEU . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.681 HG22 ' C ' ' B' ' 49' ' ' LYS . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.681 ' C ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.589 ' N ' HG22 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 44' ' ' LEU . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.521 ' H ' ' HG1' ' B' ' 56' ' ' THR . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' B' ' 56' ' ' THR . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.509 ' HB2' HG12 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.573 ' H ' ' CD2' ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.56 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt -35.46 123.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -41.9 133.33 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.657 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' B' ' 78' ' ' THR . 7.3 t -79.28 -101.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.449 ' N ' ' OG ' ' B' ' 77' ' ' SER . 33.4 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 530' ' ' LEU . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.558 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 516' ' ' THR . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 506' ' ' LEU . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.548 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 510' ' ' LEU . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.493 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 584' ' ' VAL . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.415 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.511 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.051 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' B' ' 16' ' ' LEU . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' B' ' 6' ' ' PHE . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.529 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.568 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.856 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.529 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.844 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' B' ' 73' ' ' SER . 0.2 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.639 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.782 HG23 ' N ' ' B' ' 50' ' ' VAL . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.642 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.782 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 44' ' ' LEU . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.729 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.051 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 45' ' ' ILE . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.645 HG12 HD12 ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.414 ' SD ' HG21 ' A' ' 587' ' ' THR . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.417 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.409 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' A' ' 497' ' ' PHE . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 536' ' ' GLY . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.484 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.607 ' SG ' ' NE2' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 547' ' ' MET . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.434 ' N ' HG22 ' A' ' 546' ' ' ILE . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 555' ' ' ALA . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.529 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.421 ' H ' ' HG2' ' A' ' 553' ' ' ARG . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.529 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.607 ' NE2' ' SG ' ' A' ' 538' ' ' CYS . 47.5 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.567 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.029 HD23 ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' B' ' 16' ' ' LEU . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 11.8 p30 -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' ASN . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 579' ' ' GLU . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.851 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.541 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.71 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.711 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.851 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' B' ' 70' ' ' PHE . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 1.019 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 1.019 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.713 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.56 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.536 HD21 HG21 ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.502 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.611 HD22 ' SG ' ' B' ' 60' ' ' CYS . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.71 ' O ' HG21 ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.611 ' SG ' HD22 ' B' ' 51' ' ' LEU . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.599 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.029 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 529' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.5 m120 -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 534' ' ' PHE . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 530' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 497' ' ' PHE . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 543' ' ' THR . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.462 ' CG ' ' HZ1' ' B' ' 75' ' ' LYS . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 580' ' ' GLN . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 591' ' ' ILE . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.666 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.107 HD23 ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' B' ' 16' ' ' LEU . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.512 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' B' ' 6' ' ' PHE . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.554 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.516 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.508 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.876 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 25' ' ' LEU . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.568 HG21 HD21 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.848 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.57 ' O ' HG13 ' B' ' 45' ' ' ILE . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 27' ' ' THR . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.824 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' B' ' 51' ' ' LEU . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.824 ' N ' HG23 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' B' ' 46' ' ' TYR . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' B' ' 62' ' ' LEU . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' B' ' 51' ' ' LEU . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.905 ' HB2' HG13 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.666 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.666 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.666 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.107 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' B' ' 75' ' ' LYS . 22.1 mm-40 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 552' ' ' GLU . 41.0 mmtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 499' ' ' GLY . 20.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.528 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.448 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.57 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.502 HD22 ' CE3' ' A' ' 562' ' ' TRP . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 584' ' ' VAL . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 580' ' ' GLN . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.568 HG21 ' SD ' ' B' ' 71' ' ' MET . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 5' ' ' THR . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' B' ' 5' ' ' THR . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.76 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.875 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.425 ' N ' HD13 ' B' ' 25' ' ' LEU . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.76 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.839 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 83.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.839 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.62 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.523 HD21 HG21 ' B' ' 27' ' ' THR . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.865 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.496 ' H ' HG22 ' B' ' 45' ' ' ILE . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.455 ' O ' ' HB1' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.698 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.865 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 60' ' ' CYS . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' B' ' 51' ' ' LEU . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.584 HD21 HG22 ' B' ' 68' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.653 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.038 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.584 HG12 ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 587' ' ' THR . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.571 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.486 ' C ' ' N ' ' A' ' 499' ' ' GLY . 1.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 524' ' ' ALA . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 520' ' ' ILE . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 537' ' ' THR . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.478 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 550' ' ' PHE . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.478 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 594' ' ' PRO . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.62 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.627 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.6 p30 -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 16' ' ' LEU . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.812 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.783 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.704 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.812 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 31' ' ' LEU . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.867 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.555 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.626 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.551 HD22 HG23 ' B' ' 24' ' ' ILE . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.899 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.697 ' H ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.899 ' N ' HG23 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.716 HD22 ' SG ' ' B' ' 60' ' ' CYS . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.783 ' O ' HG21 ' B' ' 24' ' ' ILE . 36.6 mm-40 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.8 HG13 ' HB2' ' B' ' 62' ' ' LEU . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.716 ' SG ' HD22 ' B' ' 51' ' ' LEU . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.8 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.593 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.992 ' H ' HD23 ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.627 HG13 ' HE2' ' B' ' 7' ' ' LYS . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 533' ' ' VAL . 45.5 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.868 0.365 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 566' ' ' LEU . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 551' ' ' LEU . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 558' ' ' LEU . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.412 ' H ' ' H ' ' A' ' 562' ' ' TRP . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 550' ' ' PHE . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 572' ' ' ILE . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 577' ' ' GLN . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 581' ' ' VAL . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 577' ' ' GLN . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 602' ' ' LEU . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 601' ' ' VAL . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.982 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.586 ' HE2' HD11 ' B' ' 44' ' ' LEU . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.598 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.749 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.575 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.575 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.653 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.691 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.749 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 70' ' ' PHE . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.921 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.83 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.83 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.653 ' O ' HG21 ' B' ' 24' ' ' ILE . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.868 HG13 ' HB2' ' B' ' 62' ' ' LEU . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' B' ' 51' ' ' LEU . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.868 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.578 ' HZ1' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.578 ' C ' ' HZ1' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.982 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 31' ' ' LEU . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.449 HE22 ' HD3' ' A' ' 511' ' ' PRO . 36.0 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.461 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 542' ' ' ILE . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.47 ' HG ' ' CD ' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 547' ' ' MET . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 546' ' ' ILE . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 584' ' ' VAL . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 573' ' ' LEU . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 41.7 mm-40 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.054 HD23 ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' B' ' 5' ' ' THR . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.621 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.587 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.86 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.621 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.823 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.536 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.704 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.482 HD21 HG21 ' B' ' 27' ' ' THR . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.523 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.635 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.768 HD21 ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.768 ' SG ' HD21 ' B' ' 51' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.581 HD21 HG22 ' B' ' 68' ' ' VAL . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.644 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.644 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.054 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.581 HG22 HD21 ' B' ' 62' ' ' LEU . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.47 ' CD ' ' HG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.875 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 506' ' ' LEU . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 505' ' ' VAL . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 509' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 547' ' ' MET . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 563' ' ' VAL . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 74.2 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 574' ' ' TYR . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' ' 593' ' ' HIS . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.575 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.047 HD23 ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 16' ' ' LEU . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' B' ' 12' ' ' GLU . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' B' ' 6' ' ' PHE . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.691 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.946 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.647 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.691 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.946 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.46 HD13 HD11 ' B' ' 16' ' ' LEU . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 1.083 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 1.083 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.531 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.422 ' O ' HG13 ' B' ' 45' ' ' ILE . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' B' ' 6' ' ' PHE . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.837 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.558 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.588 ' N ' HG22 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.837 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.607 HD21 ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.607 ' SG ' HD21 ' B' ' 51' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.697 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.697 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.047 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.332 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.43 HD21 ' HA ' ' A' ' 502' ' ' ASN . 8.6 m120 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.573 ' CD2' HD22 ' A' ' 530' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 530' ' ' LEU . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 506' ' ' LEU . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.021 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 13' ' ' LYS . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' B' ' 16' ' ' LEU . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' B' ' 13' ' ' LYS . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.612 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.566 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.612 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 31' ' ' LEU . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.837 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.594 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.539 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' B' ' 70' ' ' PHE . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.841 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' B' ' 51' ' ' LEU . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.841 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' B' ' 51' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.598 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.021 ' H ' HD23 ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.597 ' HB2' HD12 ' B' ' 44' ' ' LEU . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 21.8 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.595 ' CD2' HD22 ' A' ' 530' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 507' ' ' GLY . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.413 HD23 HD21 ' A' ' 530' ' ' LEU . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 520' ' ' ILE . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 506' ' ' LEU . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 543' ' ' THR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.493 ' O ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 580' ' ' GLN . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.402 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . 0.464 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.544 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.659 ' CE2' HD11 ' B' ' 44' ' ' LEU . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' B' ' 71' ' ' MET . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.529 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.585 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.878 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.541 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.782 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' CYS . . . . . 0.832 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' B' ' 73' ' ' SER . 0.2 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.468 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.659 HD11 ' CE2' ' B' ' 6' ' ' PHE . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.874 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.646 ' H ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.874 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.767 HD13 ' SG ' ' B' ' 60' ' ' CYS . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' CYS . . . . . 0.767 ' SG ' HD13 ' B' ' 51' ' ' LEU . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.68 ' HB2' HG13 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 1.064 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.4 ' HA ' ' H ' ' B' ' 5' ' ' THR . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.624 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.782 ' CD2' HD21 ' B' ' 31' ' ' LEU . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.41 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 483' ' ' THR . 0.5 OUTLIER -76.12 138.32 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.94 153.64 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 15.1 pt -72.0 -30.24 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.7 m -62.5 -55.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.1 t -57.25 -37.95 73.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.74 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.5 mm -47.18 -30.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.49 -58.71 6.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.65 -57.11 11.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.8 mp -54.34 -38.58 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.511 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.99 36.48 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 495' ' ' ILE . 96.5 mt -83.08 -16.83 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -69.87 -56.78 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 -48.59 -47.83 39.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 530' ' ' LEU . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.558 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 516' ' ' THR . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 506' ' ' LEU . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.548 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 510' ' ' LEU . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.493 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 584' ' ' VAL . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.19 -101.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -63.31 90.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.1 m -56.51 -36.0 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.88 67.09 2.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 84.4 m -77.47 99.41 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.958 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.415 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.511 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.051 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' B' ' 16' ' ' LEU . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' B' ' 6' ' ' PHE . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.529 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.568 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.856 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.529 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.844 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' B' ' 73' ' ' SER . 0.2 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.639 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.782 HG23 ' N ' ' B' ' 50' ' ' VAL . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.642 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.782 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 44' ' ' LEU . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.729 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.051 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 45' ' ' ILE . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.645 HG12 HD12 ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.414 ' SD ' HG21 ' A' ' 587' ' ' THR . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.417 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -68.74 116.04 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 77' ' ' SER . 82.2 mttt -59.35 -27.39 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 76' ' ' LYS . 4.7 m 59.93 125.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.5 t -162.4 -17.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -72.21 -19.82 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 tt -48.17 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -68.9 -54.7 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 66.4 m -53.46 -44.76 69.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.0 73.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.62 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 11.0 mm -73.11 -34.49 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.9 tp -54.45 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.56 -61.02 6.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 493' ' ' LEU . 37.5 tp -52.87 -28.01 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.528 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -59.51 -67.03 2.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.29 0.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.525 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -83.86 -72.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -73.28 27.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.409 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' A' ' 497' ' ' PHE . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 536' ' ' GLY . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.484 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.607 ' SG ' ' NE2' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 547' ' ' MET . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.434 ' N ' HG22 ' A' ' 546' ' ' ILE . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 555' ' ' ALA . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.529 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.421 ' H ' ' HG2' ' A' ' 553' ' ' ARG . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.529 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.607 ' NE2' ' SG ' ' A' ' 538' ' ' CYS . 47.5 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.94 141.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 46.87 -96.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 67.2 p -69.0 70.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -60.03 103.75 0.5 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 36.9 p -52.76 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.84 0 CA-C-O 118.07 -1.405 . . . . 0.0 111.015 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.567 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.029 HD23 ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' B' ' 16' ' ' LEU . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 11.8 p30 -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' ASN . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 579' ' ' GLU . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.851 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.541 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.71 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.711 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.851 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' B' ' 70' ' ' PHE . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 1.019 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 1.019 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.713 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.56 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.536 HD21 HG21 ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.502 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.611 HD22 ' SG ' ' B' ' 60' ' ' CYS . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.71 ' O ' HG21 ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.611 ' SG ' HD22 ' B' ' 51' ' ' LEU . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.599 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.029 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -62.76 93.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.69 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -161.42 -92.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.598 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 8.5 m -68.87 137.61 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -47.15 128.19 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.4 pt -51.48 -18.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' ALA . 11.2 t -67.4 -77.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 m -45.02 -31.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.21 62.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -69.21 -52.2 30.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 494' ' ' GLY . 10.5 mm -60.25 -28.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 494' ' ' GLY . 18.5 tp -64.04 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.52 -51.76 6.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 493' ' ' LEU . 9.6 mp -79.6 -9.01 59.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.481 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -65.03 -36.67 93.32 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.3 pt -103.63 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -87.77 6.86 33.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 529' ' ' ALA . 0.7 OUTLIER -44.65 -50.5 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.5 m120 -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 534' ' ' PHE . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 530' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 497' ' ' PHE . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 543' ' ' THR . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.462 ' CG ' ' HZ1' ' B' ' 75' ' ' LYS . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 580' ' ' GLN . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 591' ' ' ILE . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 609' ' ' THR . . . -161.48 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -73.09 37.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 607' ' ' ALA . 7.6 m -80.44 59.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -69.24 143.01 38.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -0.57 32.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 CA-C-O 117.919 -1.49 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.666 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.107 HD23 ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' B' ' 16' ' ' LEU . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.512 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' B' ' 6' ' ' PHE . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.554 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.516 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.508 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.876 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 25' ' ' LEU . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.568 HG21 HD21 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.848 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.57 ' O ' HG13 ' B' ' 45' ' ' ILE . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 27' ' ' THR . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.824 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' B' ' 51' ' ' LEU . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.824 ' N ' HG23 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' B' ' 46' ' ' TYR . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' B' ' 62' ' ' LEU . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' B' ' 51' ' ' LEU . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.905 ' HB2' HG13 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.666 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.666 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.666 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.107 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 76' ' ' LYS . 22.1 mm-40 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 552' ' ' GLU . 41.0 mmtt -34.28 92.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 74' ' ' GLN . 49.6 mtpt -57.46 163.68 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.9 p -160.81 79.51 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.537 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 484' ' ' LYS . 2.6 m 48.56 -132.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.549 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.459 ' H ' HG22 ' A' ' 483' ' ' THR . 83.4 tttt -160.93 -56.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.91 -35.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.8 p -55.19 -67.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 45.4 m -48.33 -43.16 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.27 75.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.57 -71.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.9 mm -47.17 -30.4 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 494' ' ' GLY . 17.6 tp -63.26 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.21 -56.53 6.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.5 mp -62.21 -18.54 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -62.62 -50.58 62.98 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 495' ' ' ILE . 71.3 mt -79.15 -12.75 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -67.68 -55.67 12.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.52 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 20.4 m-85 -42.82 -67.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.528 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.448 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.57 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.502 HD22 ' CE3' ' A' ' 562' ' ' TRP . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 584' ' ' VAL . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 580' ' ' GLN . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.568 HG21 ' SD ' ' B' ' 71' ' ' MET . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.47 179.58 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 40.5 p90 -77.38 120.49 22.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 35.1 p -70.7 142.22 51.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -72.97 -110.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -78.04 148.8 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.853 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 5' ' ' THR . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' B' ' 5' ' ' THR . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.76 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.875 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.425 ' N ' HD13 ' B' ' 25' ' ' LEU . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.76 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.839 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 83.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.839 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.62 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.523 HD21 HG21 ' B' ' 27' ' ' THR . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.865 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.496 ' H ' HG22 ' B' ' 45' ' ' ILE . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.455 ' O ' ' HB1' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.698 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.865 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 60' ' ' CYS . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' B' ' 51' ' ' LEU . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.584 HD21 HG22 ' B' ' 68' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.653 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.038 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG12 ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 587' ' ' THR . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.571 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp -51.55 113.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -65.81 143.87 57.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.2 t -60.69 -11.62 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.59 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.2 m -163.93 74.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -173.48 175.3 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 74.7 mt -49.58 -53.08 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 73.7 m -45.93 -50.32 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 10.4 t -48.97 -55.33 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.53 -29.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -74.8 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.1 mm -43.48 -50.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 46.2 mt -56.34 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.34 -71.31 0.43 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 493' ' ' LEU . 11.0 mp -47.43 -38.69 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.14 -37.22 23.22 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -78.83 -28.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.486 ' C ' ' N ' ' A' ' 499' ' ' GLY . 1.8 m-85 -55.31 -54.09 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 524' ' ' ALA . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 520' ' ' ILE . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 537' ' ' THR . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.478 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 550' ' ' PHE . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.478 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 594' ' ' PRO . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -167.84 -116.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 610' ' ' GLY . 8.2 m-85 -78.76 69.81 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -55.97 81.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 51.03 -174.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.7 t -74.34 19.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.62 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.627 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.6 p30 -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 16' ' ' LEU . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.812 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.783 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.704 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.812 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 31' ' ' LEU . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.867 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.555 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.551 HD22 HG23 ' B' ' 24' ' ' ILE . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.899 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.697 ' H ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.899 ' N ' HG23 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.716 HD22 ' SG ' ' B' ' 60' ' ' CYS . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.783 ' O ' HG21 ' B' ' 24' ' ' ILE . 36.6 mm-40 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.8 HG13 ' HB2' ' B' ' 62' ' ' LEU . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.716 ' SG ' HD22 ' B' ' 51' ' ' LEU . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.8 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.593 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.992 ' H ' HD23 ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.627 HG13 ' HE2' ' B' ' 7' ' ' LYS . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 76' ' ' LYS . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -57.76 78.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 74' ' ' GLN . 53.9 mtpt -56.36 -24.1 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -163.72 87.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.3 m -58.77 -35.16 72.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 53.77 58.57 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.31 -24.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 487' ' ' SER . 88.5 p -61.04 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.3 p -54.38 -45.9 72.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.65 -35.2 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.52 -70.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.7 mm -48.25 -23.51 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.22 -75.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.87 -33.29 1.62 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.3 tp -76.37 -43.75 39.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.22 60.47 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 14.3 tt -83.73 -24.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.575 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -56.31 -69.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.5 p90 -80.02 27.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 566' ' ' LEU . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 551' ' ' LEU . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 558' ' ' LEU . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.412 ' H ' ' H ' ' A' ' 562' ' ' TRP . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 550' ' ' PHE . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 572' ' ' ILE . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 577' ' ' GLN . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 581' ' ' VAL . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 577' ' ' GLN . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 602' ' ' LEU . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 601' ' ' VAL . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 61.57 -144.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 23.3 p90 -154.08 106.89 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 48.1 p -79.22 156.74 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.08 85.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 4.9 t -62.03 162.53 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.982 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.586 ' HE2' HD11 ' B' ' 44' ' ' LEU . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.598 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.749 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.575 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.575 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.653 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.691 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.749 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 70' ' ' PHE . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.921 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.83 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.83 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.653 ' O ' HG21 ' B' ' 24' ' ' ILE . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.868 HG13 ' HB2' ' B' ' 62' ' ' LEU . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' B' ' 51' ' ' LEU . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.868 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.578 ' HZ1' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.578 ' C ' ' HZ1' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.982 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 31' ' ' LEU . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' B' ' 76' ' ' LYS . 36.0 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt -39.53 90.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' B' ' 74' ' ' GLN . 43.4 mttm -71.59 159.81 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -71.72 -70.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.579 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.584 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.0 t -171.42 21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -164.72 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.8 mm -66.54 -17.95 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.9 m -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -46.86 -46.51 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.91 -43.44 39.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.62 -54.37 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.4 mm -53.91 -39.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.9 tp -57.07 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -61.97 4.72 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 5.2 tp -44.19 -41.64 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.94 -58.12 16.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.74 12.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.308 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -92.45 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 40.1 p90 -79.19 16.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.461 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 542' ' ' ILE . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.47 ' HG ' ' CD ' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 547' ' ' MET . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 546' ' ' ILE . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 584' ' ' VAL . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 573' ' ' LEU . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 41.7 mm-40 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 178.88 -173.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -83.1 9.31 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 20.3 m -58.95 114.23 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 612' ' ' GLY . . . 67.88 102.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 612' ' ' GLY . 69.7 p 48.34 -90.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.002 -1.443 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.054 HD23 ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' B' ' 5' ' ' THR . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.621 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.587 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.86 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.621 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.823 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.536 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.704 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.482 HD21 HG21 ' B' ' 27' ' ' THR . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.523 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.635 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.768 HD21 ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.768 ' SG ' HD21 ' B' ' 51' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.581 HD21 HG22 ' B' ' 68' ' ' VAL . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.644 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.644 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.054 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.581 HG22 HD21 ' B' ' 62' ' ' LEU . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.47 ' CD ' ' HG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 77' ' ' SER . 0.0 OUTLIER -43.15 107.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.438 ' HB2' ' HZ3' ' B' ' 76' ' ' LYS . 19.7 mtmm -75.21 27.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 75' ' ' LYS . 4.0 m -67.1 114.65 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 484' ' ' LYS . 2.8 t -165.05 40.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 483' ' ' THR . 48.6 mttm 55.12 108.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.66 -41.15 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 13.7 t -53.88 -65.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 39.3 t -44.44 -58.51 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -43.95 -36.27 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -69.33 -61.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.603 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -44.11 -68.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 491' ' ' LEU . 19.3 mt -45.56 -30.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.44 99.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 497' ' ' PHE . 13.9 mt -69.4 -30.76 68.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.97 -44.78 97.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.2 mt -75.06 -49.33 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -80.7 7.09 11.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 493' ' ' LEU . 31.6 t80 -45.12 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 506' ' ' LEU . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 505' ' ' VAL . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 509' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 547' ' ' MET . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 563' ' ' VAL . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 74.2 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 574' ' ' TYR . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' ' 593' ' ' HIS . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -164.04 -70.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -72.47 -60.89 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.6 t -77.54 139.09 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.69 168.05 23.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 14.4 p 46.69 52.67 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.929 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.575 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.047 HD23 ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 16' ' ' LEU . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' B' ' 12' ' ' GLU . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' B' ' 6' ' ' PHE . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.691 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.946 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.647 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.691 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.946 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.46 HD13 HD11 ' B' ' 16' ' ' LEU . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 1.083 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 1.083 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.531 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.422 ' O ' HG13 ' B' ' 45' ' ' ILE . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' B' ' 6' ' ' PHE . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.837 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.558 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.588 ' N ' HG22 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.837 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.607 HD21 ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.607 ' SG ' HD21 ' B' ' 51' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.697 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.697 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.047 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt 22.42 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.479 ' CB ' ' NZ ' ' B' ' 76' ' ' LYS . 9.2 mtmp? -57.72 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' B' ' 78' ' ' THR . 33.1 t -166.17 -171.55 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' B' ' 77' ' ' SER . 4.9 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.602 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.825 ' N ' ' HG ' ' A' ' 486' ' ' SER . 3.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 85.7 m -59.58 -54.16 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -166.65 -35.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 83.6 mt -46.39 -43.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.825 ' HG ' ' N ' ' A' ' 482' ' ' ASP . 58.5 p -62.17 -56.38 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 t -48.37 -49.37 34.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.46 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.32 -54.24 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.0 -31.91 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -58.89 -68.38 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 496' ' ' ALA . . . -55.89 -51.19 56.98 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.3 tp -46.6 -44.67 18.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.83 -50.95 60.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 495' ' ' ILE . 68.4 mt -82.96 -4.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.9 -68.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.711 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.7 p90 -71.85 15.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.43 HD21 ' HA ' ' A' ' 502' ' ' ASN . 8.6 m120 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.573 ' CD2' HD22 ' A' ' 530' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 530' ' ' LEU . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 506' ' ' LEU . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.84 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 49.3 p90 -160.48 129.35 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -77.29 -18.71 57.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 59.95 -147.81 43.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 6.1 t -67.3 153.83 42.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.729 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.021 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 13' ' ' LYS . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' B' ' 16' ' ' LEU . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' B' ' 13' ' ' LYS . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.612 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.566 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.612 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 31' ' ' LEU . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.837 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.594 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.539 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' B' ' 70' ' ' PHE . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.841 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' B' ' 51' ' ' LEU . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.841 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' B' ' 51' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.598 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.021 ' H ' HD23 ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.597 ' HB2' HD12 ' B' ' 44' ' ' LEU . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 21.8 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt 7.81 -114.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' B' ' 78' ' ' THR . 55.3 mttp -93.05 -166.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 27.7 t 51.06 -90.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.453 ' N ' ' O ' ' B' ' 76' ' ' LYS . 20.1 p . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 80.5 p -75.52 -19.52 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -49.66 133.85 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 84.8 mt -54.9 -34.75 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.1 m -57.7 -48.27 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.6 p -66.57 -52.97 39.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.6 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.92 -71.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.6 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 84.6 mt -45.68 -29.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.39 -51.58 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.477 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.78 78.33 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 493' ' ' LEU . 8.4 mp -62.91 -33.69 75.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.53 85.74 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.99 -6.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -76.91 -76.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -92.02 27.7 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.595 ' CD2' HD22 ' A' ' 530' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 507' ' ' GLY . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.413 HD23 HD21 ' A' ' 530' ' ' LEU . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 520' ' ' ILE . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 506' ' ' LEU . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 543' ' ' THR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.493 ' O ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 580' ' ' GLN . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.0 161.55 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -47.29 147.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 41.0 p -48.35 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -160.99 -128.47 0.95 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.3 m -162.0 120.23 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.98 -1.456 . . . . 0.0 110.929 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.402 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.464 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.544 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.659 ' CE2' HD11 ' B' ' 44' ' ' LEU . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' B' ' 71' ' ' MET . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.529 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.585 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.878 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.541 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.782 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' CYS . . . . . 0.832 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' B' ' 77' ' ' SER . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' B' ' 73' ' ' SER . 0.2 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.468 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.659 HD11 ' CE2' ' B' ' 6' ' ' PHE . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.874 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.646 ' H ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.874 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.767 HD13 ' SG ' ' B' ' 60' ' ' CYS . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.767 ' SG ' HD13 ' B' ' 51' ' ' LEU . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.68 ' HB2' HG13 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 1.064 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.4 ' HA ' ' H ' ' B' ' 5' ' ' THR . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.624 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.782 ' CD2' HD21 ' B' ' 31' ' ' LEU . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.41 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt -35.46 123.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -41.9 133.33 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.657 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' B' ' 78' ' ' THR . 7.3 t -79.28 -101.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.449 ' N ' ' OG ' ' B' ' 77' ' ' SER . 33.4 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 530' ' ' LEU . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.558 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 516' ' ' THR . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 506' ' ' LEU . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.548 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 510' ' ' LEU . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.493 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 584' ' ' VAL . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.415 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.511 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.051 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' B' ' 16' ' ' LEU . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' B' ' 6' ' ' PHE . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.529 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.568 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.856 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.529 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.844 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.639 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.782 HG23 ' N ' ' B' ' 50' ' ' VAL . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.642 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.782 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 44' ' ' LEU . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.729 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.051 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 45' ' ' ILE . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.645 HG12 HD12 ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.414 ' SD ' HG21 ' A' ' 587' ' ' THR . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.567 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.409 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' A' ' 497' ' ' PHE . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 536' ' ' GLY . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.484 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.457 ' SG ' ' OE1' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 547' ' ' MET . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.434 ' N ' HG22 ' A' ' 546' ' ' ILE . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 555' ' ' ALA . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.529 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.421 ' H ' ' HG2' ' A' ' 553' ' ' ARG . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.529 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.457 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 14.4 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.567 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.029 HD23 ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' B' ' 16' ' ' LEU . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.537 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 0.2 OUTLIER -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' ASN . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 579' ' ' GLU . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.851 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.541 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.71 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.711 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.851 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' B' ' 70' ' ' PHE . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 1.019 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 1.019 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.559 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.713 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.56 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.536 HD21 HG21 ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.502 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.611 HD22 ' SG ' ' B' ' 60' ' ' CYS . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.71 ' O ' HG21 ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.611 ' SG ' HD22 ' B' ' 51' ' ' LEU . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.599 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.029 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.559 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 529' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 502' ' ' ASN . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 0.9 OUTLIER -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 534' ' ' PHE . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 530' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 497' ' ' PHE . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 543' ' ' THR . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.462 ' CG ' ' HZ1' ' B' ' 75' ' ' LYS . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 580' ' ' GLN . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 591' ' ' ILE . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.666 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.107 HD23 ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' B' ' 16' ' ' LEU . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.512 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' B' ' 6' ' ' PHE . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.554 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.516 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.508 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.876 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 25' ' ' LEU . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.568 HG21 HD21 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.848 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.554 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.57 ' O ' HG13 ' B' ' 45' ' ' ILE . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 27' ' ' THR . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.824 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' B' ' 51' ' ' LEU . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.824 ' N ' HG23 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' B' ' 46' ' ' TYR . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' B' ' 62' ' ' LEU . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' B' ' 51' ' ' LEU . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.905 ' HB2' HG13 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.666 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.666 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.666 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.107 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.554 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' B' ' 75' ' ' LYS . 13.2 mm100 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 552' ' ' GLU . 41.0 mmtt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 499' ' ' GLY . 20.4 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.528 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.448 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.57 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.502 HD22 ' CE3' ' A' ' 562' ' ' TRP . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 584' ' ' VAL . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 580' ' ' GLN . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.568 HG21 ' SD ' ' B' ' 71' ' ' MET . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 5' ' ' THR . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' B' ' 5' ' ' THR . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.76 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.621 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.875 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.425 ' N ' HD13 ' B' ' 25' ' ' LEU . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.76 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.839 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 25.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.839 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.62 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.523 HD21 HG21 ' B' ' 27' ' ' THR . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.865 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.496 ' H ' HG22 ' B' ' 45' ' ' ILE . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.455 ' O ' ' HB1' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.698 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.865 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 60' ' ' CYS . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' B' ' 51' ' ' LEU . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.584 HD21 HG22 ' B' ' 68' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.653 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.038 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.584 HG12 ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 587' ' ' THR . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.571 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.486 ' C ' ' N ' ' A' ' 499' ' ' GLY . 1.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 524' ' ' ALA . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 520' ' ' ILE . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 537' ' ' THR . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.478 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 539' ' ' ASN . 0.9 OUTLIER -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 550' ' ' PHE . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.478 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.5 t60 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 594' ' ' PRO . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.62 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.627 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.738 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.738 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 16' ' ' LEU . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.812 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.783 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.704 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.812 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 31' ' ' LEU . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.867 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.555 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.626 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.551 HD22 HG23 ' B' ' 24' ' ' ILE . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.899 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.697 ' H ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.899 ' N ' HG23 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.716 HD22 ' SG ' ' B' ' 60' ' ' CYS . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.783 ' O ' HG21 ' B' ' 24' ' ' ILE . 6.5 mm100 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.8 HG13 ' HB2' ' B' ' 62' ' ' LEU . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.716 ' SG ' HD22 ' B' ' 51' ' ' LEU . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.8 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.593 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.992 ' H ' HD23 ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.627 HG13 ' HE2' ' B' ' 7' ' ' LYS . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.537 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 533' ' ' VAL . 45.5 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.868 0.365 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 566' ' ' LEU . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 551' ' ' LEU . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 558' ' ' LEU . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.412 ' H ' ' H ' ' A' ' 562' ' ' TRP . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 550' ' ' PHE . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 572' ' ' ILE . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 577' ' ' GLN . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 581' ' ' VAL . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 577' ' ' GLN . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 602' ' ' LEU . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 601' ' ' VAL . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.982 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.586 ' HE2' HD11 ' B' ' 44' ' ' LEU . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.598 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.749 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.575 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.575 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.653 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.691 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.749 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 70' ' ' PHE . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.921 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.83 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.83 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.653 ' O ' HG21 ' B' ' 24' ' ' ILE . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.868 HG13 ' HB2' ' B' ' 62' ' ' LEU . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' B' ' 51' ' ' LEU . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.868 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.578 ' HZ1' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.578 ' C ' ' HZ1' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.982 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 31' ' ' LEU . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.456 HE22 ' HB3' ' A' ' 510' ' ' LEU . 4.9 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.776 0.322 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.461 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 542' ' ' ILE . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.47 ' HG ' ' CD ' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 547' ' ' MET . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 546' ' ' ILE . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 584' ' ' VAL . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 573' ' ' LEU . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 15.0 mm100 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.054 HD23 ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' B' ' 5' ' ' THR . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.621 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.587 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.86 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.621 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.823 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.536 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.704 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.482 HD21 HG21 ' B' ' 27' ' ' THR . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.523 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.635 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.768 HD21 ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.768 ' SG ' HD21 ' B' ' 51' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.581 HD21 HG22 ' B' ' 68' ' ' VAL . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.644 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.644 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.054 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.581 HG22 HD21 ' B' ' 62' ' ' LEU . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.55 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.47 ' CD ' ' HG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.875 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 506' ' ' LEU . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 505' ' ' VAL . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 509' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 44.8 m-80 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 547' ' ' MET . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.521 ' N ' HD22 ' A' ' 549' ' ' ASN . 1.7 m120 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 563' ' ' VAL . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 25.8 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 574' ' ' TYR . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' ' 593' ' ' HIS . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.575 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.047 HD23 ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 16' ' ' LEU . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.7 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.7 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' B' ' 6' ' ' PHE . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.691 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.946 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.647 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.691 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.946 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.46 HD13 HD11 ' B' ' 16' ' ' LEU . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 1.083 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 1.083 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.531 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.422 ' O ' HG13 ' B' ' 45' ' ' ILE . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' B' ' 6' ' ' PHE . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.837 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.558 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.588 ' N ' HG22 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.837 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.607 HD21 ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.607 ' SG ' HD21 ' B' ' 51' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.697 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.697 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.047 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.332 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 502' ' ' ASN . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 500' ' ' SER . 87.6 m-20 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.573 ' CD2' HD22 ' A' ' 530' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 530' ' ' LEU . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 506' ' ' LEU . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.021 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 13' ' ' LYS . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' B' ' 16' ' ' LEU . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' B' ' 13' ' ' LYS . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.612 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.566 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.612 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 31' ' ' LEU . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.837 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.56 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.594 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.539 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' B' ' 70' ' ' PHE . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.841 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' B' ' 51' ' ' LEU . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.841 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' B' ' 51' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.598 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.021 ' H ' HD23 ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.597 ' HB2' HD12 ' B' ' 44' ' ' LEU . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.56 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 58.3 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.341 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.595 ' CD2' HD22 ' A' ' 530' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 507' ' ' GLY . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.413 HD23 HD21 ' A' ' 530' ' ' LEU . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 520' ' ' ILE . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 506' ' ' LEU . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 543' ' ' THR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 549' ' ' ASN . 2.3 m120 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.493 ' O ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 580' ' ' GLN . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.402 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . 0.464 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.064 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.544 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.659 ' CE2' HD11 ' B' ' 44' ' ' LEU . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' B' ' 71' ' ' MET . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.529 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.585 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.878 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.541 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.782 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' CYS . . . . . 0.832 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.468 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.659 HD11 ' CE2' ' B' ' 6' ' ' PHE . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.874 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.646 ' H ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.874 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.767 HD13 ' SG ' ' B' ' 60' ' ' CYS . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' CYS . . . . . 0.767 ' SG ' HD13 ' B' ' 51' ' ' LEU . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.68 ' HB2' HG13 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 1.064 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.4 ' HA ' ' H ' ' B' ' 5' ' ' THR . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.624 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.782 ' CD2' HD21 ' B' ' 31' ' ' LEU . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.56 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.4 ' H ' HG22 ' A' ' 483' ' ' THR . 0.5 OUTLIER -76.12 138.32 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.94 153.64 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 15.1 pt -72.0 -30.24 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.7 m -62.5 -55.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.1 t -57.25 -37.95 73.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.74 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -72.81 -71.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.5 mm -47.18 -30.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.49 -58.71 6.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.65 -57.11 11.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.8 mp -54.34 -38.58 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.511 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.99 36.48 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 495' ' ' ILE . 96.5 mt -83.08 -16.83 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -69.87 -56.78 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 499' ' ' GLY . 10.9 m-85 -48.59 -47.83 39.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -58.01 -4.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -103.52 -2.07 47.03 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.1 m -171.8 98.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -89.32 53.26 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -83.6 -177.07 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -93.22 4.04 54.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.601 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -84.11 -48.56 9.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.7 t -47.45 -51.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.36 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 530' ' ' LEU . 3.6 tp -69.35 -34.0 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.558 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -63.39 -10.45 35.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.558 HD12 ' C ' ' A' ' 507' ' ' GLY . 9.5 mp -119.59 -40.73 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 510' ' ' LEU . 1.2 tt -67.37 -66.52 0.55 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 9.1 tp -38.35 -62.3 0.71 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.924 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.74 -53.35 5.73 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.585 2.19 . . . . 0.0 111.906 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.51 -29.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -60.75 -17.09 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.478 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -158.88 56.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 29.5 t -80.2 -102.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 68.9 p -82.24 -86.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 516' ' ' THR . 10.1 m-20 -157.83 51.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.27 147.4 97.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.471 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.88 132.89 10.77 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.761 2.308 . . . . 0.0 111.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.0 pt -64.42 2.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 519' ' ' PRO . 52.0 mt-10 -77.81 -74.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 77.6 m -58.8 -31.13 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -62.47 -49.42 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.65 64.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtt -52.03 -40.08 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.21 63.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -70.03 -35.71 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.37 -35.51 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -63.39 -39.02 93.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 506' ' ' LEU . 0.9 OUTLIER -68.5 -59.98 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.27 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -56.71 -38.34 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.9 t -76.54 -59.74 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 9.3 m-85 -71.58 14.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.4 p -44.83 -42.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.547 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -79.83 -52.08 4.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 71.2 p -64.01 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 15.2 t -170.17 151.14 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.548 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 8.3 t-20 -163.93 148.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.518 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -82.17 -44.2 7.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.548 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 95.5 m-20 -42.79 -45.45 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 89.7 mt -54.1 -34.96 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 540' ' ' GLY . 22.3 m -77.94 -19.52 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.57 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -53.83 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 510' ' ' LEU . 11.0 m -66.85 -43.23 84.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.14 -33.71 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.389 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.5 ttm -64.42 -54.8 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -48.64 -35.61 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -65.46 -47.19 76.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.545 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.493 ' CE1' HD21 ' A' ' 566' ' ' LEU . 3.0 m-85 -50.72 -30.11 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 553' ' ' ARG . 24.3 mt -74.84 -76.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.28 -16.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.46 ' N ' ' C ' ' A' ' 551' ' ' LEU . 34.8 ttt85 -43.15 113.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.518 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -101.13 -26.41 13.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 55.2 6.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -64.13 -19.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.727 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -78.44 -89.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 558' ' ' LEU . 3.8 mm? -90.34 129.42 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -127.04 53.95 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 89.6 m -163.52 111.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 55.53 93.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -159.79 -37.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.41 -32.24 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -56.95 -66.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -51.41 -63.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 550' ' ' PHE . 4.0 tp -45.33 -48.68 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -45.53 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.11 -70.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.504 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -43.59 -17.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -101.43 -82.99 1.7 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 574' ' ' TYR . 17.9 tt -36.94 -32.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 571' ' ' GLY . 45.9 tp -41.22 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 572' ' ' ILE . 66.1 m-85 -136.96 98.59 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 0.0 OUTLIER -79.89 -32.73 40.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.635 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.584 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -179.04 165.03 33.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 45.62 80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -170.81 77.39 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 91.4 mt-10 -44.7 -24.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 584' ' ' VAL . 62.4 mt-30 -42.71 -37.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.391 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.73 -36.42 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.485 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.496 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.2 OUTLIER -64.87 -44.88 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.377 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 582' ' ' ASP . 4.8 m-20 -65.59 -28.3 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.62 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 587' ' ' THR . 50.2 t -68.46 -75.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 584' ' ' VAL . 57.2 mt -39.84 -28.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 30.5 tt0 -66.92 -42.43 85.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -77.15 -55.37 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.0 mt -41.57 -74.27 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 593' ' ' HIS . 36.1 t -47.27 -55.67 8.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -41.46 -65.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 592' ' ' GLU . 63.2 mt -54.84 78.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 590' ' ' ALA . 1.0 OUTLIER 42.56 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 589' ' ' SER . 58.5 m80 -147.02 74.92 11.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.37 -66.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.981 2.454 . . . . 0.0 111.974 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.8 ttt -155.13 56.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -133.53 3.63 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.4 p -60.38 -52.29 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -49.42 -47.3 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.95 -29.75 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -63.93 -46.26 85.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.89 -32.6 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -61.26 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.63 -25.62 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.602 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.12 -58.71 12.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 9.7 t -61.37 -69.02 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.749 0.309 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.16 117.95 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.19 -101.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.506 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -63.31 90.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.1 m -56.51 -36.0 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.88 67.09 2.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 84.4 m -77.47 99.41 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.958 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.1 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.415 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.89 130.93 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.511 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 13.4 p -115.91 109.02 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.051 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.9 mt -103.52 173.46 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -121.97 123.06 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' B' ' 16' ' ' LEU . 5.0 m-85 -99.86 118.42 36.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.091 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -103.55 142.11 34.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.363 . . . . 0.0 110.565 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.591 ' ND2' ' CE ' ' B' ' 10' ' ' LYS . 5.2 p30 -92.88 -115.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.135 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.537 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 49.2 t80 -128.45 -12.38 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.982 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.591 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 0.6 OUTLIER -95.54 13.5 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 0.6 OUTLIER 65.79 39.73 4.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.971 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 7.5 mm-40 -107.45 141.93 38.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.94 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 135.89 42.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 81.12 57.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.944 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.17 143.02 3.68 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.883 2.389 . . . . 0.0 112.413 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' B' ' 6' ' ' PHE . 25.3 mt -151.48 143.73 24.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.741 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 11.9 p-10 -106.19 133.14 51.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.698 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.529 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.55 -170.84 3.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.194 0.521 . . . . 0.0 111.151 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 18' ' ' LEU . 75.5 mm-40 -145.17 156.07 54.51 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.001 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.72 8.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.535 2.157 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.603 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.2 p -83.95 -61.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.495 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.603 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.0 m120 -27.03 137.1 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.2 OUTLIER -113.37 176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.287 0.565 . . . . 0.0 111.864 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.568 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -58.3 -30.43 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.713 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.856 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.7 tm? -53.55 -47.67 69.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -74.88 -44.28 49.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.584 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.529 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.6 -35.76 74.94 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.8 mttt -69.35 -41.58 76.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.948 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -62.81 -51.36 67.36 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.339 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.566 ' O ' ' N ' ' B' ' 33' ' ' GLN . 18.9 tptm -61.95 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.173 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.4 tp -42.36 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.396 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.77 -31.14 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.458 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' B' ' 30' ' ' LYS . 30.7 mt-30 -86.24 1.82 49.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.406 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 63.5 m -100.5 -42.38 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.711 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.7 pt -93.83 -18.3 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.881 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.79 29.19 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.06 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.844 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.6 m -122.38 135.84 54.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.77 145.2 35.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.74 3.55 36.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.218 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -79.05 -8.22 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.02 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.28 -29.21 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.379 0.609 . . . . 0.0 109.408 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -52.09 151.46 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.062 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.639 ' O ' HG13 ' B' ' 45' ' ' ILE . 21.7 mttp -129.12 89.62 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.84 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -68.72 98.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.782 HG23 ' N ' ' B' ' 50' ' ' VAL . 2.3 mt -98.06 169.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 16.8 t80 -144.54 100.35 3.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.618 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t 59.21 40.78 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.081 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.01 31.6 55.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.642 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.1 OUTLIER -136.06 80.96 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 111.059 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.782 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.5 p -34.62 108.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 44' ' ' LEU . 79.0 mt -62.59 -167.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.675 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.33 140.46 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.413 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -14.63 23.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -90.94 4.96 50.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.394 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.73 135.87 54.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -78.13 -150.89 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' B' ' 62' ' ' LEU . 5.2 t -93.85 -39.24 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.8 t -60.91 -38.89 87.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.72 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -74.49 -37.19 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.489 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 51' ' ' LEU . 23.5 t -54.68 -28.78 50.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.159 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.05 9.8 57.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' B' ' 57' ' ' VAL . 14.8 mt -74.99 165.6 25.01 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.255 0.55 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -137.12 -161.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.159 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.729 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 4.3 p-10 -83.8 114.93 21.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 66.82 66.38 2.4 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.709 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.051 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.5 t0 -118.62 -152.94 0.52 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.418 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -139.18 136.77 35.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 45' ' ' ILE . 1.3 t -123.1 140.96 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.902 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.645 HG12 HD12 ' B' ' 45' ' ' ILE . 92.0 t -101.35 134.14 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.132 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.6 p90 -151.25 172.38 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.686 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.414 ' SD ' HG21 ' A' ' 587' ' ' THR . 2.7 ttp -155.13 157.71 37.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 t -112.14 144.61 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.567 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.69 178.34 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.592 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.49 -20.21 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -68.74 116.04 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' B' ' 77' ' ' SER . 82.2 mttt -59.35 -27.39 65.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 76' ' ' LYS . 4.7 m 59.93 125.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.5 t -162.4 -17.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -72.21 -19.82 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.6 tt -48.17 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -68.9 -54.7 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 66.4 m -53.46 -44.76 69.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.0 73.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.62 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 11.0 mm -73.11 -34.49 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.9 tp -54.45 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.56 -61.02 6.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 493' ' ' LEU . 37.5 tp -52.87 -28.01 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.528 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -59.51 -67.03 2.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.29 0.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.525 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -83.86 -72.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -73.28 27.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.0 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.92 122.41 7.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 73.1 p -164.09 -58.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 56.63 35.63 26.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 504' ' ' GLU . 3.7 m-20 -93.36 130.44 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.605 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.56 -2.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 502' ' ' ASN . 77.9 tt0 -80.91 -49.7 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.86 -53.64 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.19 -40.54 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.502 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -53.74 -17.62 7.03 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.17 -29.02 6.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.684 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -70.12 -66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.523 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.6 mp -38.81 -64.51 0.48 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.05 -55.56 3.33 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 514' ' ' ALA . 96.9 mt -61.0 -64.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -55.33 -9.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 512' ' ' ILE . . . -150.59 58.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.582 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 511' ' ' PRO . 49.1 m -81.89 -75.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -46.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 27.3 t70 -92.85 -119.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.409 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 16.1 mt 45.78 74.63 0.77 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -75.5 92.01 1.04 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.894 2.396 . . . . 0.0 111.961 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 519' ' ' PRO . 32.2 pt 32.01 35.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 519' ' ' PRO . 64.4 tt0 -81.78 -57.58 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.16 2.76 5.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.29 -61.87 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.42 -33.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 4.1 tpt -74.19 -58.12 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.73 -50.65 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.2 m -54.92 -34.6 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -57.61 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.34 -37.77 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.2 tt -57.89 -56.92 15.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -57.47 -42.57 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -44.56 -52.16 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' A' ' 497' ' ' PHE . 96.3 t -65.24 -62.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.97 28.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 536' ' ' GLY . 7.5 p -60.74 -41.64 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.484 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -62.68 -83.22 0.07 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.2 t -71.86 -170.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.506 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.457 ' SG ' ' OE1' ' A' ' 577' ' ' GLN . 6.5 p -164.15 178.97 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 27.8 t-20 -161.22 168.32 24.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 539' ' ' ASN . . . -79.4 -48.66 6.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 89.7 m-20 -47.78 -36.68 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.712 0.291 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.91 -50.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -57.18 -24.14 52.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.415 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 17.6 m -70.85 -51.04 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.4 p -64.98 -37.67 88.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 547' ' ' MET . 1.0 OUTLIER -66.66 -49.79 71.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.455 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.434 ' N ' HG22 ' A' ' 546' ' ' ILE . 35.2 mmm -60.36 -53.72 54.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 544' ' ' THR . 50.0 m-20 -45.17 -36.01 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.02 -50.47 41.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -45.86 -51.88 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.1 mp -62.5 -42.9 99.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -46.5 -25.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 555' ' ' ALA . 37.3 ttp85 -69.25 144.2 53.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.529 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -107.7 -11.35 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.421 ' H ' ' HG2' ' A' ' 553' ' ' ARG . . . 57.44 3.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.085 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.529 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.1 mp -96.12 -30.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.396 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.94 -68.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.97 -173.64 4.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -171.94 -17.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.2 p -77.73 -157.48 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 20.0 p-10 -49.65 134.33 20.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' A' ' 564' ' ' ARG . 48.2 t-105 -172.08 -61.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 12.2 p -46.95 -20.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 562' ' ' TRP . 67.9 mtp180 -62.08 -62.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -58.53 -54.26 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -50.74 -47.66 59.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.5 -38.9 92.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.7 -67.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -46.18 -78.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.11 -18.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.52 -77.05 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.77 -18.74 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.569 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.0 tp -45.51 -52.95 9.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -76.58 102.43 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.24 -54.34 44.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -170.03 13.47 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.457 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 14.4 mt-30 -60.63 -139.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.571 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 171.17 -25.7 0.1 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.479 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 49.9 mm-40 -72.78 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.6 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -42.22 -25.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 579' ' ' GLU . 43.9 t -72.15 -42.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 1.9 p30 -59.91 -35.2 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.458 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 75.4 m-20 -68.65 -35.24 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 587' ' ' THR . 78.7 t -69.0 -69.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 35.3 mt -45.4 -29.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.12 -37.23 75.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 590' ' ' ALA . 2.1 p -79.17 -56.02 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -42.98 -39.62 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 35.0 t -76.18 -31.47 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -69.7 -79.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 593' ' ' HIS . 8.7 mm -46.72 110.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 41.9 mp0 -40.54 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.613 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 591' ' ' ILE . 51.5 t60 -149.75 79.71 7.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.8 -155.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.948 2.432 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 8.9 ttt 42.44 37.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 5.2 t -135.29 2.97 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -45.19 -46.35 12.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.05 -46.02 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 70.1 mt -73.92 -45.14 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.19 -57.87 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.57 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 44.8 t -54.96 -53.45 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.0 tp -50.38 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.08 -31.58 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.52 93.52 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 40.4 m -67.78 -54.29 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 110.61 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 26.6 t -73.16 114.65 11.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.94 141.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 46.87 -96.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 67.2 p -69.0 70.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -60.03 103.75 0.5 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 36.9 p -52.76 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.84 0 CA-C-O 118.07 -1.405 . . . . 0.0 111.015 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 64' ' ' ASP . 1.5 m -97.46 131.58 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.567 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 25.5 p -116.33 110.23 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.167 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.029 HD23 ' H ' ' B' ' 66' ' ' ASP . 11.0 mt -104.44 179.99 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 111.175 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.27 124.67 27.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.673 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' B' ' 16' ' ' LEU . 26.3 m-85 -104.73 119.44 39.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.486 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.63 151.52 25.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.931 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.537 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 0.2 OUTLIER -116.73 -159.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' ASN . 15.8 m-85 -70.59 -9.44 56.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 12' ' ' GLU . 6.8 mtmm -97.32 6.08 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.038 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 579' ' ' GLU . 28.4 mmtm 67.12 -22.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.783 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 10' ' ' LYS . 56.2 mt-10 -48.84 135.07 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.359 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.41 136.98 35.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.651 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.27 80.14 15.57 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.37 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -44.68 144.46 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.857 2.371 . . . . 0.0 112.226 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.3 mt -152.29 161.96 41.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.672 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -125.15 134.41 52.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.851 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.44 -172.85 3.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.1 0.476 . . . . 0.0 111.356 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.541 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 97.7 mt-10 -139.13 155.86 72.46 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.99 -30.49 9.92 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.713 2.275 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.537 ' O ' ' C ' ' B' ' 22' ' ' ASN . 77.7 p -91.34 -41.46 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.134 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 13.3 m120 -35.77 133.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.4 p -102.09 158.2 16.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.71 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -53.83 -24.58 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.868 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.711 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.5 tt -59.52 -47.35 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.02 -47.45 65.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.851 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.64 -32.86 70.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.1 mttt -67.87 -43.06 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.6 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.01 -51.18 67.79 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' B' ' 33' ' ' GLN . 24.1 tptp -59.81 -62.8 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.044 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' B' ' 70' ' ' PHE . 35.3 tp -43.75 -20.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.184 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 1.019 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -90.8 -32.19 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.362 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' B' ' 30' ' ' LYS . 82.3 mt-30 -85.4 1.58 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.357 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t -99.14 -42.93 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.613 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.9 pt -93.58 -18.07 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.8 p 86.5 29.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 1.019 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.6 m -120.43 149.93 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.34 148.35 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.55 2.56 56.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.285 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -84.37 -9.41 58.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.559 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.02 -28.84 5.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.446 0.641 . . . . 0.0 109.34 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.713 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.38 112.93 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.164 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.56 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.7 mttp -88.28 83.7 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.536 HD21 HG21 ' B' ' 27' ' ' THR . 6.8 tp -68.34 113.29 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.336 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.7 OUTLIER -111.27 167.47 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.044 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.502 ' HB2' HD11 ' B' ' 51' ' ' LEU . 17.7 t80 -144.31 103.48 3.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.416 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.1 t 60.13 40.69 18.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.009 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 74.34 32.12 58.37 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 0.0 OUTLIER -137.23 80.29 1.8 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.461 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.3 p -31.13 101.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.611 HD22 ' SG ' ' B' ' 60' ' ' CYS . 98.4 mt -55.53 -165.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.461 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.71 ' O ' HG21 ' B' ' 24' ' ' ILE . 4.7 mm-40 -125.46 -171.41 2.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.418 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.62 -19.42 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 54' ' ' SER . 13.6 t -104.93 23.12 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -124.59 141.37 52.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.2 OUTLIER -102.94 -173.88 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.637 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.1 t -63.61 -31.71 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.657 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 9.5 t -68.88 -40.76 79.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -80.96 -33.72 33.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.611 ' SG ' HD22 ' B' ' 51' ' ' LEU . 25.2 m -65.75 -28.19 68.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.16 5.85 59.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' B' ' 57' ' ' VAL . 20.2 mt -68.59 159.15 32.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -131.13 -162.51 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.514 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.599 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -87.26 114.85 24.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 73.77 57.4 4.95 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.821 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.029 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -113.39 -163.5 0.86 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.368 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -132.05 136.59 47.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 11.2 t -124.39 141.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.582 ' O ' ' O ' ' B' ' 45' ' ' ILE . 21.8 t -98.14 134.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.2 p90 -149.87 171.51 16.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.097 0.475 . . . . 0.0 111.299 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -159.49 156.78 28.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.957 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -109.32 146.13 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.661 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.559 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -109.15 -164.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.55 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -133.28 -23.52 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -62.76 93.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.69 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -161.42 -92.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.598 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 8.5 m -68.87 137.61 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -47.15 128.19 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.4 pt -51.48 -18.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' ALA . 11.2 t -67.4 -77.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 m -45.02 -31.12 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.21 62.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -69.21 -52.2 30.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 494' ' ' GLY . 10.5 mm -60.25 -28.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 494' ' ' GLY . 18.5 tp -64.04 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.52 -51.76 6.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 493' ' ' LEU . 9.6 mp -79.6 -9.01 59.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.481 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -65.03 -36.67 93.32 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.3 pt -103.63 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -87.77 6.86 33.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 529' ' ' ALA . 0.7 OUTLIER -44.65 -50.5 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -73.93 21.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.37 157.2 0.19 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 502' ' ' ASN . 74.7 p -73.02 53.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 48.08 62.55 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 0.9 OUTLIER -97.38 134.63 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -62.27 3.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 32.4 tt0 -82.32 -23.44 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.313 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 9.6 t -79.45 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 534' ' ' PHE . 20.4 mt -65.46 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.546 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -75.16 -49.3 9.7 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 508' ' ' LEU . 3.7 mm? -84.21 -28.69 27.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 530' ' ' LEU . 36.9 tp -65.41 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.8 mp -36.62 -66.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.761 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.23 -46.36 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.68 2.253 . . . . 0.0 111.865 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -72.31 -24.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 515' ' ' SER . . . -85.05 -60.55 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -69.77 37.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 513' ' ' ALA . 23.2 t -84.66 -24.31 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 47.8 p 49.53 27.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -125.17 -13.39 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.87 172.01 7.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.433 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.83 173.78 13.92 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.844 2.363 . . . . 0.0 111.925 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 522' ' ' THR . 19.0 tt -76.4 -34.17 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.4 19.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 520' ' ' ILE . 7.7 m -129.26 -65.15 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.599 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.39 -55.5 7.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.58 -48.82 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 525' ' ' MET . 1.4 tmt? -52.74 -46.93 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.58 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.74 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 60.8 m -46.11 -39.36 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 2.1 tt -58.07 -61.35 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 497' ' ' PHE . . . -53.14 -28.93 28.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.1 tt -62.4 -61.58 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -53.42 -42.38 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.3 t -61.79 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 63.0 m-85 -79.41 31.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.3 p -57.56 -36.43 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.39 -71.36 1.13 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.0 p -74.02 -169.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.9 p -173.77 179.46 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 23.2 t-20 -172.31 167.77 5.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -72.7 -50.83 13.03 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 541' ' ' ASP . 3.3 m-20 -43.7 -39.76 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.65 -41.1 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 543' ' ' THR . 52.1 m -76.88 -14.33 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.6 m -75.02 -50.4 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 39.5 t -72.07 -30.2 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.02 -30.17 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.432 ' SD ' ' CZ ' ' B' ' 9' ' ' PHE . 10.3 ttm -72.66 -57.41 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.77 -29.6 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -73.1 -33.5 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.62 -31.87 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.55 -31.95 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.462 ' CG ' ' HZ1' ' B' ' 75' ' ' LYS . 48.1 mm-40 -68.12 -80.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -42.34 108.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 556' ' ' ILE . 32.7 p -91.29 13.04 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.24 9.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.197 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -72.67 -26.82 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.562 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -47.66 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 558' ' ' LEU . 9.4 mp -87.88 -170.05 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -139.49 24.72 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.527 ' O ' ' CZ3' ' A' ' 562' ' ' TRP . 42.8 p -99.87 -141.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -98.92 163.69 12.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 11.9 p90 -174.61 -32.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.552 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -52.99 -22.9 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -73.44 -42.73 61.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -69.55 -63.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.2 mp -45.84 -33.58 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.72 -42.33 28.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.97 -55.22 21.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -62.74 -71.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 40.1 tp -45.65 -26.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.603 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.76 -80.41 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 96.8 mt -46.94 -23.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -45.82 -59.25 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -84.12 -161.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 34.0 mtt -151.86 -59.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 159.39 43.45 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -171.2 156.88 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.506 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 88.35 15.64 60.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 40.35 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 578' ' ' GLY . 38.5 mt-30 -64.9 -48.59 73.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.58 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.51 -51.98 66.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -63.46 -30.57 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 580' ' ' GLN . 76.6 t -69.23 -72.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 64.2 mt -45.84 -23.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.8 -41.99 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -76.48 -54.4 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.563 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.1 -35.44 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 19.2 t -89.96 -16.34 30.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -68.59 -60.5 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 591' ' ' ILE . 4.0 mt -72.1 46.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 592' ' ' GLU . 11.7 mp0 46.99 -110.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 52.29 74.19 0.83 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -0.64 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.986 2.458 . . . . 0.0 112.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 42.4 mtm -72.08 -44.3 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.7 p -80.45 13.37 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 32.0 t -54.26 -41.11 68.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.01 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.95 -32.57 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -66.24 -27.91 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 75.6 t -75.72 -54.79 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.04 -69.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.5 -33.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.52 -42.49 90.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 8.9 t -68.31 -66.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 m -81.66 120.52 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 609' ' ' THR . . . -161.48 -88.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -73.09 37.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 607' ' ' ALA . 7.6 m -80.44 59.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -69.24 143.01 38.51 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.17 -0.57 32.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.524 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 CA-C-O 117.919 -1.49 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -80.08 172.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.666 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 3.0 m -147.71 101.36 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.926 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.107 HD23 ' H ' ' B' ' 66' ' ' ASP . 16.6 mt -92.17 -174.89 3.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.106 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.5 m -134.81 109.87 8.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.337 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' B' ' 16' ' ' LEU . 80.6 m-85 -93.9 114.03 26.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.093 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.568 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -107.96 152.1 24.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.068 0.461 . . . . 0.0 111.071 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 45.7 p30 -104.46 -126.58 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.432 ' CZ ' ' SD ' ' A' ' 547' ' ' MET . 37.5 m-85 -107.65 -7.56 16.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -102.3 14.13 32.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.201 0.524 . . . . 0.0 109.907 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 45.6 mmtt 71.21 -24.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' LYS . 10.6 mt-10 -42.38 134.66 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.221 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 135.96 41.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.31 76.07 6.69 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.998 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.512 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.8 Cg_endo -46.28 143.14 8.21 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.796 2.33 . . . . 0.0 112.148 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' B' ' 6' ' ' PHE . 23.2 mt -151.61 139.63 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.798 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' B' ' 17' ' ' ASP . 2.3 m-20 -101.22 133.28 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.828 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.554 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.79 -168.39 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.152 -179.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.516 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 78.4 mt-10 -136.82 152.51 74.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.85 -29.4 8.1 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.6 2.2 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.518 ' O ' ' C ' ' B' ' 22' ' ' ASN . 99.5 p -91.78 -38.93 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.123 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' B' ' 21' ' ' SER . 10.6 m120 -37.16 133.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 3.1 p -101.42 159.1 15.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.158 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.508 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.3 OUTLIER -53.31 -24.65 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.502 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.876 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.2 tm? -57.64 -46.64 83.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 25' ' ' LEU . 35.7 mt-10 -72.03 -46.39 57.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.953 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.568 HG21 HD21 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.96 -32.94 71.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 17.4 mttt -70.53 -38.8 74.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.999 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.36 -40.51 96.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.343 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 33' ' ' GLN . 22.2 tptp -75.79 -61.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.389 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -43.16 -20.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.37 -34.78 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.363 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.7 mt-30 -83.81 1.46 42.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.29 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -98.8 -43.23 6.85 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.61 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -93.21 -18.17 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.831 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 0.7 OUTLIER 86.02 29.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.01 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.848 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 58.4 m -122.34 136.14 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.26 145.16 27.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 110.701 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.67 4.91 38.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.2 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.4 t -81.0 -9.97 59.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.023 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.554 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.41 -28.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.401 0.62 . . . . 0.0 109.52 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.525 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -50.92 125.35 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.198 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.57 ' O ' HG13 ' B' ' 45' ' ' ILE . 13.2 mttp -105.19 87.86 2.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 27' ' ' THR . 5.3 tp -68.0 108.65 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.319 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.824 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.5 mt -104.41 170.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.244 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.564 ' HB2' HD11 ' B' ' 51' ' ' LEU . 6.5 t80 -145.76 99.22 3.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.348 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 61.06 37.66 17.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.132 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.05 28.79 44.0 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 34.3 mmtt -133.99 81.53 1.92 Allowed 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.327 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.824 ' N ' HG23 ' B' ' 45' ' ' ILE . 1.7 p -33.84 98.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' B' ' 46' ' ' TYR . 97.2 mt -53.97 -165.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.425 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.475 ' O ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -128.68 178.88 6.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.26 -18.73 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.742 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.1 m -100.31 18.72 18.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' B' ' 52' ' ' GLN . 60.1 mttt -127.38 140.21 52.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.1 OUTLIER -96.64 -176.23 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.326 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' B' ' 62' ' ' LEU . 6.3 t -56.83 -43.99 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -63.22 -39.8 95.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.171 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.42 -32.66 60.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.192 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' B' ' 51' ' ' LEU . 16.0 m -69.44 -29.01 66.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.5 49.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.905 ' HB2' HG13 ' B' ' 57' ' ' VAL . 38.1 mt -66.88 177.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.696 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.666 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.65 -159.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.474 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.666 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.3 p-10 -90.69 116.22 28.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.666 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 67.6 60.23 5.99 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.921 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.107 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.3 t0 -115.26 -152.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.368 . . . . 0.0 110.334 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -141.49 137.76 32.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.274 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.749 HG12 ' O ' ' B' ' 45' ' ' ILE . 3.3 t -121.41 146.08 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.59 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' B' ' 45' ' ' ILE . 40.4 t -97.09 136.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 3.8 p90 -150.39 168.76 23.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.96 0.409 . . . . 0.0 111.199 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 3.0 ptm -155.72 157.2 36.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.275 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.96 143.3 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.554 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -102.84 -158.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.478 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 76' ' ' LYS . 13.2 mm100 -129.37 -19.88 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.634 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 552' ' ' GLU . 41.0 mmtt -34.28 92.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 74' ' ' GLN . 49.6 mtpt -57.46 163.68 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.9 p -160.81 79.51 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.537 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.3 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 484' ' ' LYS . 2.6 m 48.56 -132.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.549 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.459 ' H ' HG22 ' A' ' 483' ' ' THR . 83.4 tttt -160.93 -56.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.8 tp -46.91 -35.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.8 p -55.19 -67.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 45.4 m -48.33 -43.16 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.27 75.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.57 -71.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.9 mm -47.17 -30.4 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 494' ' ' GLY . 17.6 tp -63.26 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.21 -56.53 6.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.5 mp -62.21 -18.54 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -62.62 -50.58 62.98 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 495' ' ' ILE . 71.3 mt -79.15 -12.75 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 499' ' ' GLY . . . -67.68 -55.67 12.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.52 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 20.4 m-85 -42.82 -67.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.601 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.2 -8.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -84.21 0.45 89.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 55.5 m -160.38 -58.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 502' ' ' ASN . 51.3 tttp 61.17 80.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 501' ' ' LYS . 64.2 m-20 -135.03 -179.03 5.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.29 6.59 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -89.94 -48.72 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.335 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.49 -36.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.333 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 508' ' ' LEU . 17.1 mt -85.38 -40.37 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.37 5.32 2.23 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 506' ' ' LEU . 97.8 mt -119.68 -47.7 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 510' ' ' LEU . 71.0 mt -66.42 -63.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.777 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.525 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.2 mp -39.26 -65.0 0.44 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.674 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.09 -42.47 16.22 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.778 2.319 . . . . 0.0 111.947 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 87.3 mt -75.36 -68.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.82 -59.54 2.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -75.26 71.92 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 516' ' ' THR . 86.5 p -102.04 -78.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 515' ' ' SER . 48.7 p -152.0 -58.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -158.12 61.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.81 151.53 76.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 125.68 6.58 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.852 2.368 . . . . 0.0 111.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.46 -25.6 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.69 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 523' ' ' ALA . 14.7 t -46.76 -42.44 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.53 ' N ' HG23 ' A' ' 522' ' ' THR . . . -56.49 -68.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.4 -45.84 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 12.1 mmt -64.39 -35.19 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.7 57.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 33.0 p -60.23 -23.04 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -69.56 -67.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.86 -28.46 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.6 tt -65.17 -60.28 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.83 -45.45 82.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -46.45 -43.83 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.2 t -71.23 -62.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -75.18 25.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 536' ' ' GLY . 12.1 p -58.59 -42.52 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.528 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -66.51 -76.8 0.33 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.9 t -61.4 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.487 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 537' ' ' THR . 43.6 t -163.8 156.14 17.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -154.49 159.18 40.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 543' ' ' THR . . . -79.42 -52.32 4.85 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.448 ' O ' ' OG1' ' A' ' 544' ' ' THR . 83.5 m-20 -41.24 -32.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.634 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.64 -36.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 540' ' ' GLY . 54.8 m -80.47 -24.75 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 72.7 p -66.11 -52.32 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.459 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.2 p -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.36 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.04 -35.82 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.315 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.4 ttm -64.63 -61.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -44.3 -36.44 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.33 -53.94 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 551' ' ' LEU . 10.7 mp -50.57 -37.48 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.451 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.14 -14.7 61.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.57 HH11 ' CD1' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 63.95 166.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.606 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.693 ' O ' ' N ' ' A' ' 556' ' ' ILE . 68.0 p -153.25 -140.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 33.89 25.86 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.152 0.501 . . . . 0.0 109.832 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -98.61 -17.37 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.618 -179.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.45 -59.17 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.0 mt -101.65 -143.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.63 -166.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.1 p -72.25 -134.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 53.58 97.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.3 p-90 -172.35 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.512 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.5 p -49.17 -14.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.61 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.443 ' N ' ' C ' ' A' ' 562' ' ' TRP . 72.1 ttt180 -67.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -56.13 -46.93 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.502 HD22 ' CE3' ' A' ' 562' ' ' TRP . 11.0 mp -54.1 -66.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -41.42 -51.37 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 29.2 mt -57.74 -29.51 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 566' ' ' LEU . . . -80.26 -78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 33.3 tp -45.26 -27.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.421 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -77.23 -82.32 0.57 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.88 -20.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.421 ' N ' ' C ' ' A' ' 571' ' ' GLY . 16.9 tp -45.97 -62.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.59 -119.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 15.0 ttt 64.13 63.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -172.48 -66.71 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -131.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.529 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.97 -36.09 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 582' ' ' ASP . 18.7 mt-10 -71.92 -39.9 69.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 584' ' ' VAL . 81.6 mt-30 -41.08 -29.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.5 t -73.97 -37.4 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 579' ' ' GLU . 1.0 OUTLIER -58.27 -35.95 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.9 m-20 -73.42 -40.76 64.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.661 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 580' ' ' GLN . 90.9 t -60.34 -74.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.685 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -40.64 -46.92 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 36.6 tt0 -51.47 -53.91 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.568 HG21 ' SD ' ' B' ' 71' ' ' MET . 0.8 OUTLIER -61.9 -38.63 89.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.691 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.9 mt -70.4 -72.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 4.0 m -46.56 -13.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.32 -88.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 74.7 mt -40.3 101.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -46.15 114.85 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.574 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.3 t60 -172.43 46.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.44 96.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.991 2.46 . . . . 0.0 111.971 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.1 OUTLIER -155.84 -31.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.0 t -100.01 15.78 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 4.3 m -44.43 -38.08 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.42 -59.83 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.93 -28.52 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -55.71 -55.29 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.617 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.57 -48.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.4 tp -46.91 -66.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.539 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.1 t -55.14 -27.0 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.34 -65.62 3.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 50.4 m -47.61 -38.69 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 89.0 m -80.01 113.5 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -161.47 179.58 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.454 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 40.5 p90 -77.38 120.49 22.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.578 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 35.1 p -70.7 142.22 51.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -72.97 -110.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -78.04 148.8 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.853 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.32 132.38 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.565 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 73.6 p -117.13 121.18 40.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -109.39 -172.0 1.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.111 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 5' ' ' THR . 1.7 m -133.49 108.39 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' B' ' 16' ' ' LEU . 75.5 m-85 -93.18 113.41 25.63 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -108.43 153.09 23.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 111.085 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' B' ' 8' ' ' ASN . 6.0 p-10 -110.39 -168.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.621 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 46.3 t80 -66.58 -10.82 49.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.422 ' CE ' ' ND2' ' B' ' 8' ' ' ASN . 6.2 mtmm -91.81 7.15 43.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 60.06 15.36 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.632 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 22.0 mm-40 -83.0 135.47 34.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.011 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' B' ' 5' ' ' THR . 8.8 mptt -88.8 135.51 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.027 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 t -123.48 74.07 52.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.884 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 146.07 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 123.049 2.499 . . . . 0.0 112.553 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 6' ' ' PHE . 33.7 mt -150.69 -177.44 5.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.286 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 3.1 m-20 -143.51 133.1 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.011 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.76 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -142.88 -167.64 2.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 -179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.26 156.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.974 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.1 -30.84 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.401 2.067 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.583 ' O ' ' C ' ' B' ' 22' ' ' ASN . 59.9 p -82.39 -65.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.583 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.6 m120 -27.79 137.58 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.99 178.67 4.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 111.959 -178.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.621 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.06 -29.76 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.819 -179.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.875 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.1 tm? -55.74 -46.38 77.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.425 ' N ' HD13 ' B' ' 25' ' ' LEU . 42.4 mt-10 -76.27 -43.38 42.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.489 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.76 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.53 -34.71 76.0 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' B' ' 24' ' ' ILE . 13.9 mttt -67.65 -39.13 84.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.79 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -65.2 -42.68 93.31 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.065 179.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 33' ' ' GLN . 35.2 tptt -69.77 -62.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.15 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.9 tp -44.43 -20.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.44 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.839 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.57 -31.41 15.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.291 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' B' ' 30' ' ' LYS . 25.0 mt-30 -85.84 1.35 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.289 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -100.35 -42.43 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.617 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.4 pt -91.8 -18.99 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.857 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.67 30.05 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.012 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.839 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 38.5 m -125.26 135.17 52.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.36 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.35 145.47 32.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -84.23 3.29 35.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 28.2 t -80.39 -8.4 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.948 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -119.65 -29.56 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.54 0.686 . . . . 0.0 109.423 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -49.21 152.57 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.424 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.62 ' O ' HG13 ' B' ' 45' ' ' ILE . 22.7 mtmm -129.56 82.05 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.033 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.523 HD21 HG21 ' B' ' 27' ' ' THR . 7.9 tp -66.09 108.06 2.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.757 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.865 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.4 mt -105.82 170.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.837 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.496 ' H ' HG22 ' B' ' 45' ' ' ILE . 13.1 t80 -144.83 100.19 3.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.461 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t 59.21 40.38 21.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.865 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.455 ' O ' ' HB1' ' A' ' 590' ' ' ALA . . . 77.63 31.18 50.97 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.698 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.8 tptt -135.03 78.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.259 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.865 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.8 p -31.83 100.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.704 HD22 ' SG ' ' B' ' 60' ' ' CYS . 92.8 mt -56.21 -168.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.585 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' B' ' 51' ' ' LEU . 1.8 mm-40 -132.14 168.15 18.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.322 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -92.17 -17.47 24.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.464 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -96.13 16.71 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.08 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -124.46 136.7 54.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.3 p -74.9 -153.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' B' ' 62' ' ' LEU . 20.1 t -92.12 -42.26 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.786 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -58.14 -39.75 79.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.69 -37.45 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.539 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.704 ' SG ' HD22 ' B' ' 51' ' ' LEU . 5.7 m -60.77 -23.92 65.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.059 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.95 12.7 63.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.584 HD21 HG22 ' B' ' 68' ' ' VAL . 18.5 mt -74.08 166.8 22.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.202 0.525 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.22 -159.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.201 179.502 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.653 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 6.4 p-10 -91.34 121.28 32.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.947 0.403 . . . . 0.0 111.097 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 70.08 51.26 24.08 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.872 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.038 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.9 t0 -109.61 -160.93 0.74 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -139.55 136.86 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG12 ' O ' ' B' ' 45' ' ' ILE . 12.7 t -118.39 148.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.448 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' B' ' 45' ' ' ILE . 33.7 t -101.25 136.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.1 p90 -150.41 170.57 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.702 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 587' ' ' THR . 6.7 mtp -158.76 147.29 18.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -103.94 145.92 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.571 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.8 OUTLIER -104.32 109.73 21.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.687 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -40.71 -31.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.449 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 14.9 mtpp -51.55 113.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -65.81 143.87 57.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 26.2 t -60.69 -11.62 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.59 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.2 m -163.93 74.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -173.48 175.3 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 74.7 mt -49.58 -53.08 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 73.7 m -45.93 -50.32 14.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 10.4 t -48.97 -55.33 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.53 -29.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -74.8 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.1 mm -43.48 -50.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 46.2 mt -56.34 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.34 -71.31 0.43 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 493' ' ' LEU . 11.0 mp -47.43 -38.69 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.752 0.31 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.14 -37.22 23.22 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -78.83 -28.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.605 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.486 ' C ' ' N ' ' A' ' 499' ' ' GLY . 1.8 m-85 -55.31 -54.09 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -47.72 -12.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 497' ' ' PHE . . . -84.02 -83.63 0.95 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 18.1 t -82.28 -51.32 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.62 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt 62.8 50.89 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -83.86 -165.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.32 21.1 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.613 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.05 -45.17 8.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 4.2 t -51.87 -34.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.385 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 508' ' ' LEU . 6.4 tp -85.79 -50.44 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.17 15.14 2.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.4 tp -122.07 -51.4 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 0.0 110.588 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.38 -59.39 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.527 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -42.3 -64.29 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.527 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.17 -52.64 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.753 2.302 . . . . 0.0 111.963 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.18 -68.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -46.54 -55.2 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.25 58.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 17.4 t -91.09 -72.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 28.2 m -162.89 -46.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -171.79 60.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.99 151.62 76.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.94 99.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.85 2.367 . . . . 0.0 111.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 524' ' ' ALA . 23.0 pt -52.05 -9.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 519' ' ' PRO . 41.0 tt0 -73.92 -50.43 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 92.1 m -79.15 -35.86 41.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.92 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 520' ' ' ILE . . . -46.15 -42.71 14.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.4 mtt -68.79 -42.86 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.43 81.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.4 p -59.86 -27.52 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -64.03 -63.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.14 -36.68 8.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 530' ' ' LEU . 1.3 tt -57.88 -59.26 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -46.35 -51.79 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.669 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 99.3 t -72.32 -46.16 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -74.96 16.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -53.92 -39.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -72.63 -49.7 17.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 537' ' ' THR . 1.8 p -75.92 -174.0 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.534 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.478 ' SG ' ' OE1' ' A' ' 580' ' ' GLN . 9.1 t -172.67 88.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 539' ' ' ASN . 0.9 OUTLIER -94.16 135.68 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -66.99 -15.79 65.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' A' ' 544' ' ' THR . 78.0 m-20 -76.02 -30.93 58.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.13 -30.89 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 14.9 m -79.49 -40.12 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.583 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 13.4 p -52.83 -55.35 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 15.6 p -61.18 -47.5 85.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -31.96 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.363 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 550' ' ' PHE . 1.0 OUTLIER -67.4 -57.67 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -42.61 -45.61 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.15 -30.08 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 547' ' ' MET . 18.1 t80 -64.25 -41.96 96.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 553' ' ' ARG . 12.8 mt -64.87 -46.24 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.47 ' OE2' ' NZ ' ' B' ' 75' ' ' LYS . 30.8 mt-10 -79.42 24.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 551' ' ' LEU . 57.4 ttp85 -88.97 67.8 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 556' ' ' ILE . 70.8 p -94.08 143.48 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -63.51 3.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -56.51 -28.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -82.52 -90.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 16.9 mt -89.07 -166.24 1.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -151.35 -10.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 8.7 t -69.27 -144.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.499 ' N ' ' OG1' ' A' ' 560' ' ' THR . 25.5 p-10 -141.1 139.98 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 5.0 p-90 -154.18 0.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.91 -18.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 562' ' ' TRP . 39.0 ttt85 -66.91 -41.94 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -76.34 -42.7 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 550' ' ' PHE . 23.1 tp -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -50.54 -38.16 43.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.22 -42.21 85.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -59.4 -65.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 60.5 mt -59.21 -3.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -96.03 -81.61 1.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.0 tt -46.34 -29.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.573 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.1 tp -44.34 -62.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 19.5 m-85 -84.16 -12.59 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 37.1 ttm 59.54 -76.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -173.38 159.59 29.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 45.26 80.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.58 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -162.33 112.55 0.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 582' ' ' ASP . 43.3 mt-10 -43.91 -34.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.576 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.478 ' OE1' ' SG ' ' A' ' 538' ' ' CYS . 68.6 mt-30 -40.79 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.26 -41.83 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 579' ' ' GLU . 0.6 OUTLIER -54.85 -38.56 67.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 4.0 m-20 -69.43 -32.55 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.62 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 587' ' ' THR . 73.2 t -67.54 -69.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 585' ' ' LEU . 11.1 mp -43.28 -30.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.54 -36.92 81.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.9 OUTLIER -78.78 -51.61 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.8 mt -47.54 -30.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 12.2 t -94.74 -17.08 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -64.3 -72.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 592' ' ' GLU . 8.8 mt -60.26 110.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 591' ' ' ILE . 21.7 mt-10 -41.22 163.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.5 t60 58.97 69.33 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.97 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.916 2.411 . . . . 0.0 112.053 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 17.3 mmt 49.78 53.16 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 594' ' ' PRO . 7.1 p -133.63 16.85 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 45.5 t -39.15 -46.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.5 -59.24 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.78 -53.9 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 604' ' ' GLY . 20.3 tt0 -41.02 -63.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -49.09 -52.17 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -55.51 -69.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 88.3 t -55.01 -21.31 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -71.15 -45.26 50.71 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 13.6 m -62.56 -57.78 9.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 13.1 p -79.35 114.46 18.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -167.84 -116.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 610' ' ' GLY . 8.2 m-85 -78.76 69.81 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -55.97 81.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 51.03 -174.08 0.1 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 9.7 t -74.34 19.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 m -95.63 131.38 42.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.393 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.62 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -112.32 105.79 14.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 66' ' ' ASP . 8.6 mt -102.47 170.32 8.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.64 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -124.47 142.06 51.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 3.2 m-85 -120.5 122.02 39.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.068 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.627 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -109.51 150.57 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.738 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -106.85 -130.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.02 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 57.7 t80 -105.5 -9.71 17.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.627 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.738 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 3.9 mtmm -92.79 9.44 35.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 579' ' ' GLU . 1.9 mtpp 61.63 17.34 8.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.762 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' B' ' 7' ' ' LYS . 91.1 mt-10 -89.15 136.02 33.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.042 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -93.93 137.54 33.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.76 80.99 14.57 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.21 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.426 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.5 145.17 2.72 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.825 2.35 . . . . 0.0 112.188 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 16' ' ' LEU . 34.1 mt -153.34 177.99 10.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.62 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 2.3 p30 -139.79 136.35 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.011 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.812 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.1 mp -143.72 -170.04 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.207 0.527 . . . . 0.0 111.416 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 46.9 mt-10 -143.32 155.83 61.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.956 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.94 -30.36 9.62 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.632 2.222 . . . . 0.0 111.201 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.538 ' O ' ' C ' ' B' ' 22' ' ' ASN . 91.6 p -90.64 -44.31 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.092 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.538 ' C ' ' O ' ' B' ' 21' ' ' SER . 14.0 m120 -35.75 132.99 0.44 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.974 -0.691 . . . . 0.0 109.173 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 2.7 p -100.51 162.44 12.93 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.081 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.783 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.4 OUTLIER -55.03 -25.04 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.845 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.704 HD23 ' O ' ' B' ' 25' ' ' LEU . 6.4 tt -59.83 -47.72 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -66.28 -47.16 74.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.754 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.812 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.68 -32.43 72.61 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 10.5 mtmt -70.94 -39.97 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.766 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.566 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.67 -49.18 74.18 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.09 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' B' ' 33' ' ' GLN . 36.0 tptt -64.31 -61.85 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 31' ' ' LEU . 48.2 tp -42.95 -21.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.269 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.2 -33.09 15.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.402 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' B' ' 30' ' ' LYS . 89.3 mt-30 -84.64 1.54 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -99.25 -42.93 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.702 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.2 pt -93.96 -17.69 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.922 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.1 t 85.66 29.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.083 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.867 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 59.9 m -121.06 135.77 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 110.342 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.42 145.26 23.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.116 0.484 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 2.3 pp20? -86.8 4.12 42.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.314 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.3 m -82.39 -9.27 59.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.259 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.59 -28.57 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.429 0.633 . . . . 0.0 109.481 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.555 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -49.77 122.69 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.253 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.626 ' O ' HG13 ' B' ' 45' ' ' ILE . 18.1 mttp -98.55 79.62 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.551 HD22 HG23 ' B' ' 24' ' ' ILE . 5.9 tp -63.8 114.4 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.513 -178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.899 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -109.24 172.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.513 ' H ' HG22 ' B' ' 45' ' ' ILE . 7.9 t80 -147.5 101.41 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.407 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m 57.27 42.55 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.099 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.21 32.52 51.98 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.697 ' H ' HG22 ' B' ' 45' ' ' ILE . 8.0 ttmm -136.53 78.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.247 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.899 ' N ' HG23 ' B' ' 45' ' ' ILE . 3.7 p -32.0 97.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.716 HD22 ' SG ' ' B' ' 60' ' ' CYS . 97.0 mt -52.77 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.598 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.783 ' O ' HG21 ' B' ' 24' ' ' ILE . 6.5 mm100 -121.12 -151.28 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.25 -19.82 3.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.9 t -108.0 17.81 21.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' HG12 ' B' ' 24' ' ' ILE . 83.7 mttt -115.07 138.8 50.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -100.5 179.95 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.355 179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.8 HG13 ' HB2' ' B' ' 62' ' ' LEU . 11.3 t -52.87 -42.35 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -63.8 -35.22 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.313 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -78.76 -29.58 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.126 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.716 ' SG ' HD22 ' B' ' 51' ' ' LEU . 33.0 m -75.6 -29.59 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.291 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.28 6.18 58.93 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.8 ' HB2' HG13 ' B' ' 57' ' ' VAL . 59.9 mt -67.39 173.28 4.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.263 0.554 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -136.38 -163.11 1.36 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.533 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.593 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 5.6 p-10 -81.99 123.22 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.973 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 60.41 59.94 9.42 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.992 ' H ' HD23 ' B' ' 4' ' ' LEU . 6.5 t0 -109.7 -159.75 0.69 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.845 0.355 . . . . 0.0 110.499 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -134.05 137.4 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.406 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 45' ' ' ILE . 16.1 t -126.77 145.29 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.627 HG13 ' HE2' ' B' ' 7' ' ' LYS . 48.3 t -101.68 137.25 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 6.5 p90 -148.87 172.05 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.996 0.427 . . . . 0.0 111.251 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.08 163.23 40.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.047 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 t -123.21 145.46 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.729 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.537 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.27 -171.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 76' ' ' LYS . 32.1 mt-30 -123.27 -20.19 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.47 ' NZ ' ' OE2' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -57.76 78.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 74' ' ' GLN . 53.9 mtpt -56.36 -24.1 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -163.72 87.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 9.3 m -58.77 -35.16 72.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 53.77 58.57 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.31 -24.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 487' ' ' SER . 88.5 p -61.04 -82.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.3 p -54.38 -45.9 72.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.65 -35.2 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.52 -70.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.7 mm -48.25 -23.51 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.22 -75.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.87 -33.29 1.62 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.3 tp -76.37 -43.75 39.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.22 60.47 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 14.3 tt -83.73 -24.05 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.575 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -56.31 -69.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.5 p90 -80.02 27.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.46 -39.54 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -118.83 -168.31 14.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 500' ' ' SER . 3.0 p 74.77 104.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -85.57 53.49 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 504' ' ' GLU . 78.5 m-20 -87.4 128.53 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 17.3 p-10 -68.51 11.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 502' ' ' ASN . 3.3 tm-20 -86.45 -45.97 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.104 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -52.56 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.266 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 508' ' ' LEU . 8.6 mp -64.83 -47.33 78.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.373 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -40.79 -28.22 0.21 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 506' ' ' LEU . 21.6 mt -108.31 -36.46 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -66.52 -55.8 13.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.748 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.0 mt -41.78 -65.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.57 -55.05 3.83 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.699 2.266 . . . . 0.0 111.864 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.88 -31.52 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.54 -2.15 58.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -147.01 36.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 511' ' ' PRO . 42.3 t -81.63 -15.22 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 m 61.96 68.38 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -172.22 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 519' ' ' PRO . 6.7 mt -77.9 148.14 75.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.8 Cg_endo -44.88 173.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.825 2.35 . . . . 0.0 111.915 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.6 mt -72.67 -34.85 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -57.88 -71.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 21.4 p -46.2 -43.16 15.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.25 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.9 mmt -45.81 -53.38 9.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -46.11 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.8 t -45.32 -40.68 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.0 OUTLIER -61.65 -47.05 87.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.446 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.85 -51.62 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.96 -54.56 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -43.21 -56.23 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -49.25 -53.69 20.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 535' ' ' VAL . 85.6 t -64.49 -68.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -74.74 28.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.493 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.7 p -55.3 -40.32 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.12 -86.93 0.14 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 3.1 t -57.76 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.529 ' N ' ' OG1' ' A' ' 537' ' ' THR . 6.6 p -176.34 178.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -159.59 164.07 34.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 544' ' ' THR . . . -76.25 -51.12 6.97 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -44.47 -45.09 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.563 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.3 mt -54.1 -60.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 71.4 m -59.2 -29.32 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 540' ' ' GLY . 1.7 m -59.78 -54.47 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.4 p -60.84 -44.72 96.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -31.06 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.301 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 550' ' ' PHE . 3.4 tpt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.52 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.6 -45.62 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -55.48 -36.98 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 566' ' ' LEU . 11.2 t80 -60.33 -44.36 95.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 551' ' ' LEU . 15.2 mt -55.36 -37.48 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 553' ' ' ARG . 39.6 mt-10 -81.69 50.78 1.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.47 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.497 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -35.57 -45.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.615 ' O ' ' N ' ' A' ' 556' ' ' ILE . 15.1 p 52.63 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.612 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . 39.53 21.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.21 0.529 . . . . 0.0 109.63 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.4 tp -100.05 -1.2 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -93.66 -48.83 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 558' ' ' LEU . 1.3 tt -172.28 104.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -54.47 140.54 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 17.6 p -151.23 159.59 44.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 121.23 23.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 560' ' ' THR . 29.6 p-90 -177.85 -7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.412 ' H ' ' H ' ' A' ' 562' ' ' TRP . 10.1 p -51.7 -26.1 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 23.3 mtm-85 -67.75 -59.53 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -50.07 -48.62 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 550' ' ' PHE . 24.0 tp -55.83 -73.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -44.3 -55.52 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 572' ' ' ILE . 6.4 tp -46.11 -50.2 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.471 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.22 -69.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.591 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 71.4 mt -47.88 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -100.09 -80.67 1.54 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 568' ' ' LEU . 17.6 tt -43.87 -36.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 572' ' ' ILE . 20.1 tp -41.53 -58.02 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.97 109.46 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 70.7 mtp -49.66 -41.4 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 577' ' ' GLN . . . -177.65 -7.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 581' ' ' VAL . 37.9 mt-30 -48.15 113.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 110.604 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -79.3 -21.05 68.14 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.478 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 54.3 mm-40 -62.77 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 579' ' ' GLU . 14.1 mm100 -39.41 -33.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 577' ' ' GLN . 70.3 t -67.19 -45.12 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 1.2 p30 -53.43 -33.47 54.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.8 m-20 -72.31 -34.34 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 90.3 t -67.84 -71.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 14.3 mt -41.6 -37.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 590' ' ' ALA . 43.5 tt0 -62.61 -51.92 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.1 p -61.83 -34.93 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 590' ' ' ALA . 94.2 mt -70.79 -72.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 10.5 t -47.55 -11.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 588' ' ' ILE . . . -85.54 -89.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 593' ' ' HIS . 79.8 mt -38.13 118.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -44.48 90.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 591' ' ' ILE . 0.8 OUTLIER -156.41 79.3 3.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.514 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.85 -152.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.963 2.442 . . . . 0.0 111.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.8 mtt 42.44 39.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 3.0 t -133.34 15.02 4.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 600' ' ' GLU . 39.1 p -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.626 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -42.03 -41.93 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 20.1 mm -75.13 -27.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 597' ' ' SER . 51.4 tt0 -78.36 -61.06 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 602' ' ' LEU . 11.2 p -56.36 -36.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 601' ' ' VAL . 20.3 tp -63.08 -75.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.92 -26.13 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -73.07 -42.34 44.37 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.3 t -57.21 -46.47 82.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 78.9 m -80.05 171.99 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 61.57 -144.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 23.3 p90 -154.08 106.89 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 48.1 p -79.22 156.74 28.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.08 85.94 0.06 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 4.9 t -62.03 162.53 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 17' ' ' ASP . 0.7 OUTLIER -99.81 134.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' B' ' 16' ' ' LEU . 7.6 m -122.05 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.063 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.982 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.9 mt -100.81 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.217 0.532 . . . . 0.0 111.302 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.3 m -133.61 109.4 9.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.751 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.586 ' HE2' HD11 ' B' ' 44' ' ' LEU . 11.6 m-85 -91.14 112.66 24.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.051 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.598 ' HE2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -107.48 145.54 32.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.3 p30 -99.39 -124.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.941 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 60.7 t80 -118.38 -6.22 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.491 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -94.01 11.64 29.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.35 22.95 13.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.603 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -96.57 135.79 37.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.308 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -93.18 135.95 33.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.34 75.48 24.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 145.88 2.56 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.358 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' B' ' 3' ' ' SER . 34.9 mt -151.71 176.99 10.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.516 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 15.2 p-10 -135.61 135.78 40.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.816 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.749 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -141.06 -170.37 3.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.185 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.575 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 51.1 mt-10 -143.02 155.33 62.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.032 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.9 -30.16 9.24 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.634 2.223 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' B' ' 56' ' ' THR . 55.2 p -91.34 -39.55 11.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.1 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.575 ' HB2' ' H ' ' B' ' 19' ' ' GLU . 12.9 m120 -40.14 132.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.351 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -101.45 159.47 15.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.653 HG21 ' O ' ' B' ' 52' ' ' GLN . 0.3 OUTLIER -52.97 -25.02 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.939 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.691 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -59.36 -45.98 89.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.99 -47.11 66.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.804 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.749 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -59.36 -35.64 74.25 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 11.7 mtmt -67.67 -43.7 79.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -61.56 -55.43 30.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' GLN . 23.9 tptp -56.03 -60.31 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.99 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 70' ' ' PHE . 47.5 tp -40.52 -26.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.315 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -88.46 -33.89 17.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' B' ' 30' ' ' LYS . 22.0 mm100 -83.66 0.77 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.203 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 67.1 m -100.18 -42.57 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.366 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.631 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.3 pt -88.3 -19.56 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.5 m 94.84 23.73 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.956 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.921 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 63.8 m -118.61 -173.81 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.178 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' B' ' 40' ' ' SER . 13.1 pt-20 -106.43 169.47 8.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.361 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -102.49 1.55 35.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' B' ' 38' ' ' GLU . 34.2 m -75.97 -8.85 57.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.253 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -123.37 -27.19 4.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.306 0.574 . . . . 0.0 109.621 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -54.74 152.18 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.082 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.55 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.0 mmtm -129.82 92.54 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.513 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -71.07 101.01 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.359 -179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.83 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.9 mt -100.52 169.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' B' ' 51' ' ' LEU . 10.4 t80 -146.05 101.74 3.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.644 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m 59.41 40.86 20.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.098 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.64 31.76 55.69 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.653 ' H ' HG22 ' B' ' 45' ' ' ILE . 3.2 ttmm -136.15 81.08 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.013 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.83 ' N ' HG23 ' B' ' 45' ' ' ILE . 5.6 p -33.76 101.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.02 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.715 HD12 HD12 ' B' ' 44' ' ' LEU . 90.6 mt -56.23 -163.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.409 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.653 ' O ' HG21 ' B' ' 24' ' ' ILE . 81.5 mm-40 -114.64 -156.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 53' ' ' ASP . 1.2 m-20 -124.24 -19.41 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -111.44 15.51 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.64 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -110.37 138.56 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.367 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 0.0 OUTLIER -101.04 179.48 4.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.566 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.868 HG13 ' HB2' ' B' ' 62' ' ' LEU . 13.5 t -51.82 -43.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.373 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.0 t -63.18 -33.98 76.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.18 -28.23 35.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.167 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' B' ' 51' ' ' LEU . 56.1 m -80.65 -33.17 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.371 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 1.8 49.23 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.868 ' HB2' HG13 ' B' ' 57' ' ' VAL . 30.0 mt -62.4 166.06 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.578 ' HZ1' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -132.36 -160.95 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.472 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.573 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 18.8 p-10 -94.67 115.17 27.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.578 ' C ' ' HZ1' ' B' ' 63' ' ' LYS . . . 83.33 45.27 6.61 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.972 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.982 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.4 t0 -109.88 -160.94 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 110.339 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -138.79 137.74 36.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.467 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.4 t -118.62 145.34 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.408 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.621 HG12 HD12 ' B' ' 45' ' ' ILE . 84.5 t -100.95 134.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.806 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 31' ' ' LEU . 8.1 p90 -146.43 174.38 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 111.213 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' B' ' 70' ' ' PHE . 89.5 mmm -156.02 132.36 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.476 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 42' ' ' ILE . 2.0 p -113.91 146.13 18.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.535 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.5 OUTLIER -92.41 160.13 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' B' ' 76' ' ' LYS . 4.9 tt0 -86.74 -20.04 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.474 ' O ' ' OE1' ' B' ' 41' ' ' GLN . 39.7 mttt -39.53 90.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.64 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' B' ' 74' ' ' GLN . 43.4 mttm -71.59 159.81 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -71.72 -70.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.579 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.584 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.0 t -171.42 21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -164.72 -47.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.8 mm -66.54 -17.95 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.9 m -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -46.86 -46.51 21.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -48.91 -43.44 39.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.62 -54.37 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.4 mm -53.91 -39.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.9 tp -57.07 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -61.97 4.72 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 5.2 tp -44.19 -41.64 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.94 -58.12 16.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.74 12.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.308 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -92.45 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 40.1 p90 -79.19 16.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 500' ' ' SER . . . -46.69 -79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.529 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -63.52 75.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 498' ' ' ALA . 18.4 m -159.9 90.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -83.39 56.69 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 504' ' ' GLU . 17.2 m120 -109.78 147.82 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.77 21.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' A' ' 502' ' ' ASN . 58.8 tt0 -93.15 -56.72 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.1 t -43.2 -38.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 508' ' ' LEU . 26.0 mt -81.65 -48.4 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -72.32 17.53 1.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 506' ' ' LEU . 7.5 tp -122.83 -53.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.78 -56.44 10.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.4 mp -44.7 -64.54 0.82 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.98 -44.71 14.69 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.813 2.342 . . . . 0.0 111.95 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.38 -65.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -61.2 -12.91 14.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -119.06 50.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 516' ' ' THR . 23.2 p -106.19 -60.71 1.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.483 ' N ' ' OG ' ' A' ' 515' ' ' SER . 57.4 p -149.93 -108.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 5.7 p-10 -55.63 -108.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.551 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.461 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 18.4 mt 42.7 78.18 0.4 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.93 -157.32 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.896 2.398 . . . . 0.0 111.935 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.4 pt -71.68 25.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 519' ' ' PRO . 72.7 mt-10 -89.78 -62.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.6 p -94.62 -18.47 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.01 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.32 19.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.5 mtt -51.03 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.4 -50.79 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.1 t -48.46 -33.31 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.9 tt -68.88 -65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.71 27.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.1 tt -54.08 -63.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -44.8 -44.87 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.6 t -74.78 -64.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -78.74 34.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -64.24 -31.9 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.04 -70.71 1.22 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 28.6 p -76.52 -174.24 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.534 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 11.1 p -175.22 172.15 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -161.02 170.5 20.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.29 -44.64 58.82 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -45.37 -47.83 13.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 542' ' ' ILE . 19.5 mt -59.84 -38.57 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.6 m -79.73 -11.58 59.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 10.6 m -74.11 -52.16 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.541 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.47 ' HG ' ' CD ' ' B' ' 74' ' ' GLN . 28.8 m -71.89 -38.04 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 547' ' ' MET . 2.1 mt -66.26 -53.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 546' ' ' ILE . 5.8 ttm -49.19 -48.2 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -53.12 -45.4 68.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -54.24 -50.37 67.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -52.24 -49.64 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.79 -37.84 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 553' ' ' ARG . 86.2 mt-10 -65.69 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 552' ' ' GLU . 13.0 ttp180 54.76 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -85.1 -26.19 27.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.87 6.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 109.818 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 554' ' ' THR . 0.9 OUTLIER -63.98 -19.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.7 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 558' ' ' LEU . 7.5 pt-20 -127.29 -52.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 557' ' ' GLU . 5.9 tp 39.2 56.53 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.672 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -62.68 177.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 82.2 p -59.01 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.408 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.6 p-10 -47.68 114.05 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.584 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -169.99 -66.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.47 -20.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -62.11 -70.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -59.0 -50.25 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 6.0 tp -46.35 -58.93 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.65 -49.64 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.34 -39.37 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.18 -68.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.7 tp -49.27 -19.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -74.7 -87.21 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.68 -17.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.423 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.3 tp -46.72 -62.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' A' ' 584' ' ' VAL . 12.4 m-85 -69.66 63.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 573' ' ' LEU . 8.2 ttt -78.16 -65.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.36 145.6 41.06 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.3 148.13 48.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.844 0.354 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 165.32 43.9 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 40.44 27.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 578' ' ' GLY . 15.0 mm100 -63.41 -53.12 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 36.6 t -50.91 -43.72 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.1 -65.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -45.65 -40.44 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.586 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 587' ' ' THR . 60.6 t -67.76 -78.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.9 mp -40.98 -30.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.25 -40.74 97.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.0 OUTLIER -78.64 -56.43 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.5 mt -41.24 -42.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 13.1 m -76.51 -28.72 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 592' ' ' GLU . . . -70.65 -75.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 591' ' ' ILE . 7.7 mm -44.96 89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 590' ' ' ALA . 14.4 mt-10 -44.48 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.593 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.565 ' CE1' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -166.38 48.23 0.17 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.19 105.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.034 2.49 . . . . 0.0 111.979 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.565 ' SD ' ' CE1' ' A' ' 593' ' ' HIS . 21.0 ptt? -155.53 -43.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 595' ' ' MET . 3.4 t -98.29 16.12 22.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 75.6 m -44.83 -35.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.24 -58.93 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.71 -32.68 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.94 -54.91 41.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.46 -51.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.2 tp -54.16 -67.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 72.0 t -46.26 -38.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.34 -38.68 87.51 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.6 p -51.39 -55.79 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.467 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.76 108.87 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 178.88 -173.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -83.1 9.31 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 20.3 m -58.95 114.23 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 612' ' ' GLY . . . 67.88 102.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 612' ' ' GLY . 69.7 p 48.34 -90.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.002 -1.443 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -99.12 132.69 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.474 ' O ' ' N ' ' B' ' 65' ' ' GLY . 10.3 m -109.25 154.5 22.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.007 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.054 HD23 ' H ' ' B' ' 66' ' ' ASP . 44.3 mt -144.75 -171.95 3.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.041 0.448 . . . . 0.0 110.928 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.439 ' O ' HG22 ' B' ' 5' ' ' THR . 1.9 m -138.36 107.46 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.16 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' B' ' 16' ' ' LEU . 52.8 m-85 -93.22 113.01 25.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.03 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -108.67 153.47 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.957 0.408 . . . . 0.0 110.888 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 41.2 p30 -104.88 -129.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -104.41 -5.91 21.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.4 mtmm -102.41 15.27 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.185 0.517 . . . . 0.0 109.791 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 55.2 mmtt 68.17 -22.83 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' B' ' 10' ' ' LYS . 16.3 mm-40 -44.15 135.35 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.947 0.403 . . . . 0.0 110.244 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' B' ' 5' ' ' THR . 0.0 OUTLIER -100.14 136.56 39.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 -179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.91 75.98 10.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.999 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.25 146.0 2.1 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 123.001 2.468 . . . . 0.0 112.393 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' B' ' 6' ' ' PHE . 35.7 mt -150.83 -175.6 5.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.322 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -150.33 134.49 17.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.848 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.621 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -140.62 -168.04 2.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.096 0.474 . . . . 0.0 111.178 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -144.16 156.9 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.957 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.45 -31.35 9.61 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.475 2.116 . . . . 0.0 110.79 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.587 ' O ' ' C ' ' B' ' 22' ' ' ASN . 35.8 p -82.57 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.355 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' B' ' 21' ' ' SER . 24.9 m120 -27.82 137.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.5 OUTLIER -113.98 178.98 4.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.279 0.561 . . . . 0.0 111.941 -178.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.587 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.63 -30.93 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.877 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.86 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.3 tm? -54.65 -46.46 73.99 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.73 -44.88 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.406 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.621 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.14 -34.43 73.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 14.6 mttt -66.81 -40.61 88.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.738 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -64.79 -45.69 85.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.229 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' B' ' 33' ' ' GLN . 38.0 tptt -65.71 -62.69 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.168 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 31' ' ' LEU . 41.7 tp -44.22 -21.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.29 -30.06 16.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 30' ' ' LYS . 80.4 mt-30 -86.99 1.88 51.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.416 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 m -100.68 -42.37 6.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.71 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.1 pt -93.4 -18.79 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.926 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 3.3 p 85.43 30.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.969 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.823 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 57.2 m -122.85 136.18 54.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.33 145.18 27.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.753 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -86.54 4.73 38.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.267 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 85.9 p -80.7 -10.21 59.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.069 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -121.49 -27.5 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.368 0.604 . . . . 0.0 109.558 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.536 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.1 OUTLIER -48.7 124.51 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.256 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.704 ' O ' HG13 ' B' ' 45' ' ' ILE . 15.7 mttp -98.71 76.89 2.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.482 HD21 HG21 ' B' ' 27' ' ' THR . 7.4 tp -62.63 112.29 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.457 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.921 HG23 ' N ' ' B' ' 50' ' ' VAL . 0.9 OUTLIER -109.9 173.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.523 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.0 t80 -149.44 104.52 3.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.47 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.8 t 61.47 40.15 14.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.161 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 72.43 31.96 62.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.635 ' H ' HG22 ' B' ' 45' ' ' ILE . 11.3 ttmm -139.41 83.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.921 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.0 p -28.01 113.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.768 HD21 ' SG ' ' B' ' 60' ' ' CYS . 13.5 mt -63.98 -172.24 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.35 141.74 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.93 -16.87 62.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 24.5 p -96.24 19.44 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.325 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -128.55 136.98 51.48 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.1 p -76.9 -153.15 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.858 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' B' ' 62' ' ' LEU . 14.2 t -91.68 -41.11 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -57.99 -39.66 78.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.574 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.92 -39.01 79.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.491 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.768 ' SG ' HD21 ' B' ' 51' ' ' LEU . 35.6 t -58.13 -25.08 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.073 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.7 14.23 65.74 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.581 HD21 HG22 ' B' ' 68' ' ' VAL . 17.6 mt -74.51 168.09 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.034 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.644 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.094 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.644 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.0 OUTLIER -92.1 116.01 28.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 3' ' ' SER . . . 71.86 56.78 6.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.054 ' H ' HD23 ' B' ' 4' ' ' LEU . 4.0 t0 -111.31 -157.71 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.776 0.322 . . . . 0.0 110.229 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -140.85 137.09 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.974 0.416 . . . . 0.0 110.744 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.581 HG22 HD21 ' B' ' 62' ' ' LEU . 57.9 t -122.05 149.67 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.276 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' B' ' 45' ' ' ILE . 23.4 t -102.29 136.21 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' B' ' 7' ' ' LYS . 5.7 p90 -148.51 171.28 16.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.078 0.466 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' B' ' 72' ' ' VAL . 1.5 tmm? -152.65 165.82 34.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.052 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.599 ' N ' ' SD ' ' B' ' 71' ' ' MET . 4.1 t -127.1 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.628 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.55 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -108.9 -165.47 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.47 ' CD ' ' HG ' ' A' ' 545' ' ' SER . 62.1 mt-30 -128.23 -40.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 77' ' ' SER . 0.0 OUTLIER -43.15 107.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.438 ' HB2' ' HZ3' ' B' ' 76' ' ' LYS . 19.7 mtmm -75.21 27.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 75' ' ' LYS . 4.0 m -67.1 114.65 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.572 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 484' ' ' LYS . 2.8 t -165.05 40.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 483' ' ' THR . 48.6 mttm 55.12 108.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.66 -41.15 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 13.7 t -53.88 -65.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 39.3 t -44.44 -58.51 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -43.95 -36.27 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -69.33 -61.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.603 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 11.5 mm -44.11 -68.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 491' ' ' LEU . 19.3 mt -45.56 -30.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.44 99.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 497' ' ' PHE . 13.9 mt -69.4 -30.76 68.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.97 -44.78 97.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.2 mt -75.06 -49.33 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -80.7 7.09 11.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 493' ' ' LEU . 31.6 t80 -45.12 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -102.69 -3.6 26.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -76.6 -6.21 84.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.6 m -164.62 93.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.605 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 502' ' ' ASN . 69.2 tttt -81.16 -8.99 59.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 501' ' ' LYS . 6.2 m120 -54.15 -166.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.54 29.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 504' ' ' GLU . 0.7 OUTLIER -81.33 -57.67 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 506' ' ' LEU . 3.4 t -47.63 -63.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.36 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.424 ' N ' HG12 ' A' ' 505' ' ' VAL . 28.7 mt -60.85 -29.4 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -59.93 -20.11 52.36 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 504' ' ' GLU . 38.8 mt -117.84 -28.65 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.713 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 509' ' ' LEU . 1.8 tt -70.07 -68.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.518 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.1 mp -37.82 -64.56 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.793 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -44.94 -53.57 5.08 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.79 2.326 . . . . 0.0 111.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.78 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -52.55 -57.98 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -72.24 50.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 6.3 p -86.39 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 17.0 m -163.08 -61.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -164.73 49.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.45 152.01 18.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.447 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.72 127.9 8.33 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.877 2.385 . . . . 0.0 111.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.5 tt -51.71 -18.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.21 -76.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.4 p -55.84 -43.82 77.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.4 -57.99 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -49.49 -54.09 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 32.8 mtt -51.23 -66.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.36 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 528' ' ' LEU . 3.3 p -45.07 -60.31 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.52 ' N ' ' OG ' ' A' ' 527' ' ' SER . 4.2 tp -52.5 -49.15 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.51 -48.98 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 530' ' ' LEU . 2.6 tt -52.65 -53.52 45.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.375 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -48.81 -64.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 535' ' ' VAL . 2.6 m-70 -40.94 -53.3 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 535' ' ' VAL . 63.4 t -56.85 -77.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.631 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -75.37 33.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.6 p -63.69 -20.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.61 -85.17 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 8.9 t -76.68 -174.9 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 537' ' ' THR . 74.2 m -154.67 174.38 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 44.8 m-80 -161.43 167.58 25.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.8 -47.96 10.96 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -45.97 -36.64 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.601 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.29 -56.05 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.1 m -62.59 -13.01 26.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.473 ' CG2' ' OE1' ' B' ' 74' ' ' GLN . 4.5 m -74.81 -50.86 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.9 p -70.16 -35.64 74.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 547' ' ' MET . 1.6 mt -66.98 -52.94 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 550' ' ' PHE . 35.3 ttm -49.62 -58.31 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -44.73 -49.22 10.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.521 ' N ' HD22 ' A' ' 549' ' ' ASN . 1.7 m120 -76.34 -13.12 60.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 547' ' ' MET . 22.1 t80 -78.67 -34.21 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.601 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 32.4 mt -80.86 -59.48 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -43.83 -41.7 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -67.16 108.11 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 42.8 p -103.36 21.2 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.5 20.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.428 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -85.61 -21.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -78.58 -69.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 559' ' ' LYS . 38.0 tp -84.48 126.64 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 558' ' ' LEU . 67.1 mttm -58.19 -119.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 80.4 p -76.21 -179.41 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 45.9 t0 58.3 82.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.587 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.486 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 59.1 p-90 -171.28 -42.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.3 p -73.09 -14.58 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.57 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -70.79 -70.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -63.59 -49.67 72.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 40.1 tp -48.29 -70.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 563' ' ' VAL . . . -45.12 -52.71 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.8 -46.37 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -54.36 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.527 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 4.7 tp -48.57 -17.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.566 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -78.81 -84.6 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 27.0 pt -45.94 -23.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.8 tp -45.25 -51.21 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 15.0 m-85 -79.13 -155.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 30.7 ttm -171.75 -0.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.548 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 97.43 -55.11 1.25 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -79.3 121.95 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 128.16 8.74 4.0 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 40.83 24.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 578' ' ' GLY . 25.8 mt-30 -60.71 -63.33 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 574' ' ' TYR . 90.0 t -44.69 -49.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -46.04 -48.09 16.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 11' ' ' LYS . 53.4 m-20 -68.08 -32.69 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 587' ' ' THR . 58.6 t -67.52 -77.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 584' ' ' VAL . 12.3 mt -37.72 -31.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 584' ' ' VAL . 43.8 tt0 -63.38 -43.51 97.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 584' ' ' VAL . 0.1 OUTLIER -73.95 -39.66 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 12.9 mm -63.96 -50.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 21.5 p -68.47 -15.87 63.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -80.66 -85.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.633 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' ' 593' ' ' HIS . 5.7 mt -39.65 102.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 593' ' ' HIS . 81.3 mm-40 -46.44 111.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.559 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 14.6 m80 -164.96 47.67 0.18 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.38 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.007 2.471 . . . . 0.0 111.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 595' ' ' MET . 0.8 OUTLIER -155.86 -51.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.486 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 18.0 p -81.18 16.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 31.0 t -44.28 -42.75 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.52 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.17 -36.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -54.3 -41.03 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.05 -44.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.41 -64.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.534 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.44 -30.45 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -50.34 -67.77 1.73 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 75.6 m -64.21 -58.11 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.702 0.287 . . . . 0.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -77.85 113.96 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.55 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -164.04 -70.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -72.47 -60.89 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.6 t -77.54 139.09 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 161.69 168.05 23.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 14.4 p 46.69 52.67 10.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.52 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.929 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 mtm . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -98.88 133.46 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.416 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.575 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.4 m -120.15 108.93 14.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.364 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.047 HD23 ' H ' ' B' ' 66' ' ' ASP . 17.1 mt -100.02 -177.82 3.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.113 0.482 . . . . 0.0 111.075 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 129.26 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 16' ' ' LEU . 77.6 m-85 -108.15 121.54 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.268 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.96 149.94 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 111.038 -179.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.7 ' ND2' ' H ' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -108.17 -132.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -98.93 -8.95 24.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.7 ' H ' ' ND2' ' B' ' 8' ' ' ASN . 4.5 mtmm -100.24 12.37 37.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.079 0.466 . . . . 0.0 109.868 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 57.0 mmtt 68.06 -23.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.633 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.592 ' H ' ' C ' ' B' ' 10' ' ' LYS . 66.9 mt-10 -45.73 135.06 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.09 137.51 36.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.696 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.62 77.49 4.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.269 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.52 145.63 4.0 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.845 2.363 . . . . 0.0 112.279 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' B' ' 6' ' ' PHE . 27.5 mt -150.54 175.75 11.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.527 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 8.3 p-10 -139.16 134.05 32.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.135 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.691 HD21 ' OG1' ' B' ' 27' ' ' THR . 1.0 OUTLIER -143.45 -169.28 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.241 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 20' ' ' PRO . 64.5 mt-10 -144.66 157.36 55.43 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.021 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 19' ' ' GLU . 2.5 Cg_endo -46.37 -30.72 8.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.556 2.17 . . . . 0.0 110.778 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.611 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.6 m -81.25 -70.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.611 ' C ' ' O ' ' B' ' 21' ' ' SER . 25.6 m120 -24.94 137.39 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.6 OUTLIER -112.27 -179.53 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.28 0.562 . . . . 0.0 111.845 -178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.946 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -59.46 -33.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.001 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.647 HD23 ' O ' ' B' ' 25' ' ' LEU . 7.0 tt -54.29 -46.58 72.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.063 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.32 -40.05 52.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.519 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.691 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -61.27 -39.63 91.11 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.067 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.946 ' HG3' ' O ' ' B' ' 24' ' ' ILE . 19.3 mtmt -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.416 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.55 -55.97 19.64 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.919 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.7 tptm -56.15 -59.84 4.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.754 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.46 HD13 HD11 ' B' ' 16' ' ' LEU . 19.6 tp -46.94 -20.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 1.083 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.31 -29.29 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 30' ' ' LYS . 81.8 mm-40 -85.73 1.2 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.1 m -98.2 -43.52 6.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.561 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' B' ' 36' ' ' SER . 6.2 pt -90.86 -18.4 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.78 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 2.1 t 91.77 24.48 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.057 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 1.083 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 76.6 m -114.35 169.47 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.07 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -85.98 163.36 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.982 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -100.43 -0.91 37.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.931 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 31.8 p -84.42 -8.63 58.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.175 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.4 OUTLIER -119.12 -29.56 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.472 0.653 . . . . 0.0 109.402 179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.531 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -56.94 124.71 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.364 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.422 ' O ' HG13 ' B' ' 45' ' ' ILE . 10.6 mttp -103.71 88.18 3.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' B' ' 6' ' ' PHE . 3.2 tp -71.34 112.52 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.837 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -104.44 169.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.558 ' HB2' HD11 ' B' ' 51' ' ' LEU . 11.4 t80 -147.0 103.74 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.481 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 65.46 35.35 7.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 75.17 29.57 60.22 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.588 ' N ' HG22 ' B' ' 45' ' ' ILE . 49.9 mmtt -137.88 86.07 2.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.129 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.837 ' N ' HG23 ' B' ' 45' ' ' ILE . 8.9 p -30.56 117.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.607 HD21 ' SG ' ' B' ' 60' ' ' CYS . 14.4 mt -67.41 -169.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.49 142.11 50.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' B' ' 28' ' ' LYS . 27.5 m-20 -72.32 -16.25 61.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.658 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -95.43 17.82 13.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -128.08 136.52 51.31 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.647 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 17.7 p -75.49 -154.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.716 179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.3 t -91.52 -40.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.779 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 6.5 t -59.65 -38.04 80.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.693 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.04 -36.6 69.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.543 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.607 ' SG ' HD21 ' B' ' 51' ' ' LEU . 14.5 t -58.94 -26.56 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.36 11.08 61.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.1 mt -74.08 166.85 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.269 0.557 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.697 ' HD3' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.38 -160.57 1.06 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.081 179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.697 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 1.7 p-10 -87.46 117.95 26.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.88 0.371 . . . . 0.0 110.791 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 68.95 59.15 6.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.047 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.2 t0 -110.91 -164.82 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.796 0.332 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.98 136.01 43.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 45' ' ' ILE . 44.8 t -124.84 147.68 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' B' ' 45' ' ' ILE . 35.9 t -99.75 135.82 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 6' ' ' PHE . 4.5 p90 -148.66 171.47 16.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.455 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ptm -162.58 149.04 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.91 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.39 146.74 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.644 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.577 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.7 OUTLIER -103.68 109.77 21.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.557 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -46.46 -42.66 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' B' ' 74' ' ' GLN . 57.8 mmtt 22.42 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.479 ' CB ' ' NZ ' ' B' ' 76' ' ' LYS . 9.2 mtmp? -57.72 -74.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' B' ' 78' ' ' THR . 33.1 t -166.17 -171.55 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' B' ' 77' ' ' SER . 4.9 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.602 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.825 ' N ' ' HG ' ' A' ' 486' ' ' SER . 3.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 85.7 m -59.58 -54.16 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.641 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -166.65 -35.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 83.6 mt -46.39 -43.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.825 ' HG ' ' N ' ' A' ' 482' ' ' ASP . 58.5 p -62.17 -56.38 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.3 t -48.37 -49.37 34.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.46 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -52.32 -54.24 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.0 -31.91 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -58.89 -68.38 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 496' ' ' ALA . . . -55.89 -51.19 56.98 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.3 tp -46.6 -44.67 18.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.83 -50.95 60.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 495' ' ' ILE . 68.4 mt -82.96 -4.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -72.9 -68.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.711 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.7 p90 -71.85 15.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.56 -60.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -92.37 81.03 1.16 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 502' ' ' ASN . 18.8 t -160.3 -59.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 56.12 49.28 15.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 500' ' ' SER . 87.6 m-20 -84.72 -177.5 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -93.97 -2.15 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -93.02 -39.41 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 48.2 t -46.5 -44.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.573 ' CD2' HD22 ' A' ' 530' ' ' LEU . 12.6 mt -86.88 -41.15 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.525 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.75 -1.41 0.85 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.9 mp -118.11 -46.43 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 530' ' ' LEU . 7.4 mp -66.81 -60.59 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.52 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -39.8 -65.03 0.46 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.708 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -45.27 -49.98 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.763 2.309 . . . . 0.0 111.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.61 -66.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -45.76 -70.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -74.12 48.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 3.8 t -82.49 -82.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 67.5 p -148.71 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 518' ' ' LEU . 31.4 m-20 -159.95 -85.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 517' ' ' ASP . 18.2 mt 59.24 147.22 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.08 110.79 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.766 2.311 . . . . 0.0 111.947 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.17 -23.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -68.03 -43.2 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.6 m -80.39 -46.05 16.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.13 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.64 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 2.8 tpt -45.38 -42.41 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.83 76.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -64.07 -49.76 71.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.98 -21.89 66.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -67.34 -47.41 70.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 506' ' ' LEU . 72.3 mt -66.99 -58.98 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.11 -37.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.576 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -66.65 -67.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.55 -22.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.3 9.46 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 13.7 p -46.23 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.79 -76.91 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 35.5 p -59.79 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 0.0 110.526 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.4 p -162.56 159.69 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -160.92 163.12 32.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -86.66 -50.97 3.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -43.83 -49.85 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 80.1 mt -53.71 -37.68 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 9.4 m -76.46 -35.79 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.508 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 25.9 m -54.47 -55.06 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.496 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.8 m -60.91 -47.34 86.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -31.38 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.244 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.53 -53.1 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -50.42 -50.52 51.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.57 -36.46 55.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.59 -49.27 78.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.442 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 24.0 mt -52.3 -43.14 64.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 553' ' ' ARG . 60.2 mt-10 -77.1 51.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.0 OUTLIER -34.1 -60.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 556' ' ' ILE . 13.4 p 52.73 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 38.85 22.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 554' ' ' THR . 2.1 tp -98.36 3.36 10.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.671 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.98 -37.65 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.43 -124.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -148.45 -67.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 22.5 m -155.1 70.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -158.28 71.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -164.53 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.64 -15.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.72 -76.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -54.68 -43.34 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 569' ' ' ALA . 17.3 tp -47.76 -64.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.51 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.83 -46.56 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.1 -32.82 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.521 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 566' ' ' LEU . . . -61.12 -73.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.86 -12.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -80.15 -85.13 0.64 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.85 -16.18 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.31 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -81.3 125.09 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 27.6 mtt -59.06 -93.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -162.57 36.82 0.35 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -166.38 87.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 178.45 108.1 0.23 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.456 ' O ' ' OD2' ' A' ' 582' ' ' ASP . 41.1 mt-10 -44.92 -26.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -46.23 -26.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.77 -43.18 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.2 p30 -63.88 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 1.0 OUTLIER -68.48 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 587' ' ' THR . 91.6 t -68.34 -74.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 584' ' ' VAL . 16.4 mt -38.54 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.601 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 584' ' ' VAL . 42.3 tt0 -70.12 -42.49 72.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 584' ' ' VAL . 2.1 p -69.25 -32.07 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.475 ' CG2' ' OG1' ' A' ' 596' ' ' THR . 19.5 mm -63.62 -75.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.582 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 56.3 p -46.99 -23.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' B' ' 48' ' ' GLY . . . -74.54 -94.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.45 129.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.592 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 9.4 mp0 -43.74 99.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 592' ' ' GLU . 29.5 m-70 -164.64 73.76 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.489 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.1 Cg_exo -75.56 -22.37 13.93 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.975 2.45 . . . . 0.0 111.941 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 45.5 mtm -72.66 36.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 594' ' ' PRO . 17.1 p -134.56 14.13 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 16.5 t -55.92 -51.74 66.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.3 1.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.97 -49.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 604' ' ' GLY . 40.1 tt0 -47.85 -49.97 27.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.81 -55.51 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.9 tt -57.19 -68.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.31 -23.58 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -65.57 -37.79 94.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 52.5 p -73.47 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.346 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.3 t -77.92 117.81 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.84 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 49.3 p90 -160.48 129.35 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.0 m -77.29 -18.71 57.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 59.95 -147.81 43.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 6.1 t -67.3 153.83 42.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.586 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.729 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.8 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -106.69 135.84 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.535 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 22.9 p -117.63 110.22 17.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.105 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.021 HD23 ' H ' ' B' ' 66' ' ' ASP . 24.7 mt -101.61 -170.69 1.86 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.085 0.469 . . . . 0.0 111.312 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.465 HG23 ' HB2' ' B' ' 13' ' ' LYS . 1.7 m -137.41 109.16 7.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.401 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' B' ' 16' ' ' LEU . 72.5 m-85 -92.4 113.66 26.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.995 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.59 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -106.53 152.35 23.8 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.977 0.418 . . . . 0.0 111.066 -179.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' B' ' 10' ' ' LYS . 53.5 p30 -109.74 -154.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.694 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.59 -5.72 59.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.0 mtmm -100.14 11.26 39.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.77 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 19.8 mmmt 70.23 -24.38 0.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.601 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' B' ' 10' ' ' LYS . 12.3 mm-40 -50.51 135.16 23.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.319 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' B' ' 13' ' ' LYS . 0.1 OUTLIER -98.75 152.41 19.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.39 78.8 67.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.058 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -45.69 143.24 6.52 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.823 2.349 . . . . 0.0 112.155 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.2 mt -150.6 139.62 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -102.53 133.41 47.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.737 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.612 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.52 -168.67 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.106 0.479 . . . . 0.0 111.134 -179.408 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -143.56 155.36 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.36 -30.61 8.38 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.512 2.141 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.599 ' O ' ' C ' ' B' ' 22' ' ' ASN . 65.5 p -82.76 -63.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.599 ' C ' ' O ' ' B' ' 21' ' ' SER . 23.8 m120 -26.82 137.07 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 0.4 OUTLIER -112.53 179.74 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.263 0.554 . . . . 0.0 111.8 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.566 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -62.34 -29.9 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.788 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -55.17 -47.38 75.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.53 -43.6 47.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.259 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.612 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -60.69 -34.1 73.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 16.7 mttt -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.771 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.553 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.66 -47.14 82.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.268 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' GLN . 19.1 tptm -65.81 -62.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 31' ' ' LEU . 32.8 tp -43.95 -20.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.837 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -92.75 -30.46 15.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' B' ' 30' ' ' LYS . 73.4 mm-40 -86.38 1.55 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.33 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.9 m -99.99 -42.5 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' B' ' 36' ' ' SER . 4.7 pt -93.03 -18.48 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.826 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.25 29.9 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.837 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 56.4 m -122.8 136.23 54.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.308 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -56.38 145.2 28.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.182 0.515 . . . . 0.0 110.686 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -85.51 4.84 34.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.196 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -80.03 -9.94 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.051 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.56 HE21 ' C ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -120.66 -28.05 4.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 109.485 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.594 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -51.57 121.19 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.315 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.539 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.0 mttp -99.77 87.6 3.58 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' B' ' 70' ' ' PHE . 5.9 tp -69.2 109.99 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.841 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.3 mt -106.74 169.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' B' ' 51' ' ' LEU . 15.1 t80 -145.6 102.6 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.417 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.6 m 59.07 42.28 19.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 590' ' ' ALA . . . 73.27 32.81 59.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.665 ' H ' HG22 ' B' ' 45' ' ' ILE . 1.1 tptt -137.71 80.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.348 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.841 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.4 p -30.82 105.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' B' ' 60' ' ' CYS . 20.0 mt -58.7 -171.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.36 145.69 49.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.259 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -72.42 -17.28 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.9 m -91.39 14.02 15.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -126.76 138.72 53.41 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.713 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 23' ' ' THR . 19.7 p -77.51 -155.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 62' ' ' LEU . 24.4 t -89.13 -43.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -57.86 -40.29 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.327 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.0 -39.71 83.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.396 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' B' ' 51' ' ' LEU . 10.6 t -56.25 -25.94 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.077 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.66 61.71 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.598 ' HG ' ' SG ' ' B' ' 60' ' ' CYS . 17.3 mt -74.2 168.21 20.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.251 0.548 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -133.23 -158.29 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.192 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 7.1 p-10 -95.57 115.14 27.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 78.97 50.7 5.75 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.79 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.021 ' H ' HD23 ' B' ' 4' ' ' LEU . 3.4 t0 -111.9 -162.76 0.81 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.257 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.68 137.27 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.524 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 45' ' ' ILE . 14.0 t -117.23 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.564 ' O ' ' O ' ' B' ' 45' ' ' ILE . 26.2 t -98.75 135.79 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.597 ' HB2' HD12 ' B' ' 44' ' ' LEU . 3.3 p90 -153.62 168.48 26.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 111.009 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.1 ptm -156.61 150.41 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -104.59 143.15 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.599 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.56 ' C ' HE21 ' B' ' 41' ' ' GLN . 0.1 OUTLIER -103.2 -169.55 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.512 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.649 ' O ' ' C ' ' B' ' 75' ' ' LYS . 58.3 mt-30 -132.13 -27.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.567 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.649 ' C ' ' O ' ' B' ' 74' ' ' GLN . 61.7 mmtt 7.81 -114.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' B' ' 78' ' ' THR . 55.3 mttp -93.05 -166.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 27.7 t 51.06 -90.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.453 ' N ' ' O ' ' B' ' 76' ' ' LYS . 20.1 p . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 80.5 p -75.52 -19.52 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -49.66 133.85 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 84.8 mt -54.9 -34.75 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.1 m -57.7 -48.27 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 87.6 p -66.57 -52.97 39.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.6 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.92 -71.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.6 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 84.6 mt -45.68 -29.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.39 -51.58 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.477 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.78 78.33 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 493' ' ' LEU . 8.4 mp -62.91 -33.69 75.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.53 85.74 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.99 -6.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -76.91 -76.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -92.02 27.7 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -41.96 -57.69 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -118.59 93.72 0.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 99.6 p -158.49 -46.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.837 0.351 . . . . 0.0 110.621 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 54.82 94.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -141.66 160.97 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.611 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.71 10.03 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.576 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -96.87 -47.63 5.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.66 -38.99 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.595 ' CD2' HD22 ' A' ' 530' ' ' LEU . 7.0 mt -87.48 -40.12 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.537 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -59.36 -7.03 4.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 507' ' ' GLY . 8.3 mp -122.04 -54.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.413 HD23 HD21 ' A' ' 530' ' ' LEU . 5.8 tp -64.25 -31.55 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.997 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.624 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 20.3 tp -68.13 -59.92 5.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.8 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.47 -49.6 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.445 2.097 . . . . 0.0 111.689 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.8 -23.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.564 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -86.91 8.23 23.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -164.35 50.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 75.6 p -96.26 -110.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 517' ' ' ASP . 81.1 p -76.19 -102.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 516' ' ' THR . 19.3 t0 -65.75 -83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 518' ' ' LEU . 3.5 mm? 45.75 79.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 521' ' ' GLU . 3.2 Cg_exo -74.88 160.29 40.69 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.937 2.424 . . . . 0.0 111.948 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 520' ' ' ILE . 12.7 pt -55.79 -4.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.636 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 519' ' ' PRO . 71.9 mt-10 -68.99 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 525' ' ' MET . 79.7 m -85.5 -42.94 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.669 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.86 -28.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.16 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 522' ' ' THR . 65.1 mtt -56.79 -58.4 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.18 -56.45 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -46.6 -45.42 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 528' ' ' LEU . 1.1 tt -50.26 -48.06 54.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.38 -52.28 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 506' ' ' LEU . 66.7 mt -58.41 -35.04 71.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -60.49 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -44.72 -46.72 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 535' ' ' VAL . 80.7 t -68.16 -71.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -73.99 31.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.494 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.5 p -54.87 -39.99 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -86.65 -75.4 1.26 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 96.8 m -69.12 110.14 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 p -92.2 -169.61 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -170.65 149.9 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -68.38 -46.65 62.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -47.32 -47.92 25.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.27 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 543' ' ' THR . 83.3 m -78.22 -11.78 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 9.6 m -73.87 -51.77 15.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.5 p -71.61 -37.0 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.49 -31.21 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 550' ' ' PHE . 2.5 ttt -70.51 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -46.03 -28.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 549' ' ' ASN . 2.3 m120 -76.71 -36.58 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 547' ' ' MET . 2.9 m-85 -63.85 -34.65 78.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.68 -43.53 59.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.42 -11.64 44.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -77.45 108.51 10.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 41.6 p -105.28 20.04 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 50.94 20.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.6 -25.65 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -80.16 -46.52 16.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -157.43 -176.16 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -160.65 -65.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.1 t -52.45 136.79 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 49.89 82.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -171.42 -50.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 13.8 p -52.89 -32.47 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -59.91 -50.53 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -58.01 -63.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 566' ' ' LEU . 10.0 mp -50.95 -55.98 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -49.39 -42.32 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.11 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -41.25 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 24.2 tp -41.49 -25.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.467 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -75.43 -88.03 0.26 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.4 tt -47.87 -13.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.632 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.1 tp -43.31 -72.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 576' ' ' GLY . 75.3 m-85 -82.41 -112.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.661 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.493 ' O ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 71.7 -44.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 574' ' ' TYR . . . -57.51 -95.4 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 578' ' ' GLY . 0.6 OUTLIER -53.76 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.48 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 577' ' ' GLN . . . 115.95 -168.77 12.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 73.7 -63.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 578' ' ' GLY . 29.5 mt-30 -32.71 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.3 -43.43 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 583' ' ' ASP . 2.4 p30 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 582' ' ' ASP . 23.5 m-20 -71.46 -43.34 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 580' ' ' GLN . 87.1 t -63.32 -68.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 585' ' ' LEU . 10.4 mp -43.93 -43.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -49.87 -45.76 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -53.83 13.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.3 mt -48.49 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.1 m -81.28 -14.09 57.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -80.65 -79.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 9.4 mm -41.4 113.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 592' ' ' GLU . 13.6 mp0 -43.96 111.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -172.86 74.79 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.37 79.52 2.73 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.014 2.476 . . . . 0.0 111.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 12.7 tpt -156.87 -29.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 598' ' ' ALA . 21.6 m -76.8 -1.5 28.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 49.8 m -41.11 -22.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -69.15 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.53 -28.69 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -58.25 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.2 -33.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 602' ' ' LEU . 0.2 OUTLIER -57.36 -67.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 606' ' ' CYS . 39.2 t -67.61 -38.91 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.64 -52.57 9.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.3 m -66.01 -60.43 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 603' ' ' VAL . 9.8 m -80.37 110.95 16.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.0 161.55 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -47.29 147.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 41.0 p -48.35 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -160.99 -128.47 0.95 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.3 m -162.0 120.23 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.98 -1.456 . . . . 0.0 110.929 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.402 HG13 ' H ' ' B' ' 2' ' ' VAL . 1.7 m -94.64 130.7 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.464 ' O ' ' HA2' ' B' ' 65' ' ' GLY . 4.0 m -116.52 108.39 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.231 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.064 HD23 ' H ' ' B' ' 66' ' ' ASP . 34.2 mt -96.06 -167.94 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.042 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.544 HG23 ' HB3' ' B' ' 13' ' ' LYS . 1.2 m -137.7 111.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.659 ' CE2' HD11 ' B' ' 44' ' ' LEU . 5.2 m-85 -90.53 112.64 24.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -105.97 146.91 29.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -109.25 -138.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' B' ' 71' ' ' MET . 36.4 m-85 -93.91 -9.67 36.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.802 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 12' ' ' GLU . 3.9 mtmm -100.22 14.69 30.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 109.874 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 -4.54 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' B' ' 10' ' ' LYS . 24.9 mm-40 -61.1 134.18 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 109.997 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.544 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.4 OUTLIER -95.81 135.08 37.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.025 -179.673 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -121.05 78.03 32.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.7 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 2.9 Cg_endo -44.74 143.18 4.38 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.921 2.414 . . . . 0.0 112.409 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' B' ' 6' ' ' PHE . 22.6 mt -150.72 139.36 20.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.8 133.55 42.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.769 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' OG1' ' B' ' 27' ' ' THR . 0.9 OUTLIER -140.79 -172.44 3.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.192 0.52 . . . . 0.0 111.223 -179.294 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.529 ' H ' ' HB2' ' B' ' 22' ' ' ASN . 50.6 mt-10 -141.58 154.85 66.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.013 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.78 -30.16 8.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.614 2.209 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.549 ' O ' ' C ' ' B' ' 22' ' ' ASN . 78.4 p -90.67 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.963 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.549 ' C ' ' O ' ' B' ' 21' ' ' SER . 12.1 m120 -34.46 133.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 1.7 p -104.96 157.93 16.88 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.26 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.585 HD13 ' N ' ' B' ' 24' ' ' ILE . 0.2 OUTLIER -51.75 -25.19 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.586 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.878 ' C ' HD13 ' B' ' 25' ' ' LEU . 2.4 tm? -56.5 -46.33 80.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -71.87 -47.9 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.541 ' OG1' HD21 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -56.74 -36.85 70.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' B' ' 39' ' ' GLU . 18.2 mttt -67.37 -41.51 84.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.98 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -63.22 -49.47 74.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 33' ' ' GLN . 42.1 tptt -64.59 -62.24 1.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.782 HD21 ' CD2' ' B' ' 70' ' ' PHE . 51.7 tp -42.38 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.315 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' B' ' 37' ' ' CYS . . . -91.35 -32.29 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 30' ' ' LYS . 41.3 mt-30 -85.79 2.03 47.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.66 -42.66 6.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.749 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' B' ' 36' ' ' SER . 3.8 pt -95.72 -17.49 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.993 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 35' ' ' ILE . 1.0 OUTLIER 85.4 29.28 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.043 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.832 ' O ' ' HB1' ' B' ' 32' ' ' ALA . 68.6 m -118.67 136.63 53.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.211 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' B' ' 77' ' ' SER . 5.8 mt-10 -54.86 144.75 21.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 110.605 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -87.45 3.98 45.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.172 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 13.2 t -81.68 -8.35 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.799 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' B' ' 73' ' ' SER . 0.0 OUTLIER -118.88 -29.96 5.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.523 0.677 . . . . 0.0 109.301 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.468 ' O ' HG22 ' B' ' 42' ' ' ILE . 0.2 OUTLIER -54.5 128.02 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.072 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.504 ' O ' HG13 ' B' ' 45' ' ' ILE . 14.1 mttp -106.84 99.41 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.509 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.659 HD11 ' CE2' ' B' ' 6' ' ' PHE . 0.2 OUTLIER -73.27 102.27 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.09 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.874 HG23 ' N ' ' B' ' 50' ' ' VAL . 1.2 mt -101.68 169.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' B' ' 51' ' ' LEU . 9.6 t80 -144.43 100.53 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.618 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t 59.82 39.56 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.72 50.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.646 ' H ' HG22 ' B' ' 45' ' ' ILE . 12.9 tppt? -134.64 81.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.022 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.874 ' N ' HG23 ' B' ' 45' ' ' ILE . 7.6 p -34.21 100.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.767 HD13 ' SG ' ' B' ' 60' ' ' CYS . 94.8 mt -57.76 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.58 157.95 43.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.03 -19.06 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -97.56 20.72 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -128.78 149.47 50.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.688 ' OG1' ' N ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER -105.7 -168.42 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.475 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.688 ' N ' ' OG1' ' B' ' 56' ' ' THR . 2.2 t -69.85 -33.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -65.01 -39.4 93.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.191 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.51 -35.88 45.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.179 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . 0.767 ' SG ' HD13 ' B' ' 51' ' ' LEU . 67.3 m -60.15 -26.86 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.307 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.14 10.22 62.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.68 ' HB2' HG13 ' B' ' 57' ' ' VAL . 26.6 mt -70.55 172.21 8.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.469 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.635 ' CD ' ' N ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -134.64 -158.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.413 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' B' ' 63' ' ' LYS . 5.6 p-10 -93.85 116.48 28.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 3' ' ' SER . . . 75.54 51.95 6.92 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.064 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.6 t0 -113.24 -157.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.4 ' HA ' ' H ' ' B' ' 5' ' ' THR . 2.5 pt20 -140.3 137.12 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.624 HG12 ' O ' ' B' ' 45' ' ' ILE . 4.6 t -114.4 143.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 45' ' ' ILE . 28.2 t -95.85 131.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.782 ' CD2' HD21 ' B' ' 31' ' ' LEU . 3.6 p90 -149.19 171.06 17.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.414 ' HB2' ' CE2' ' B' ' 9' ' ' PHE . 5.0 ptm -158.52 145.82 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.51 137.92 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.341 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.56 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.2 OUTLIER -90.52 162.47 15.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.529 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 75' ' ' LYS . 8.1 tp-100 -88.45 -20.1 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 74' ' ' GLN . 48.9 mmtt -35.46 123.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -41.9 133.33 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.657 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' B' ' 78' ' ' THR . 7.3 t -79.28 -101.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.449 ' N ' ' OG ' ' B' ' 77' ' ' SER . 33.4 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 stop_ save_