data_2dh9_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 2dh9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.486 ' CD2' HG12 ' A' ' 589' ' ' VAL . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.486 HG12 ' CD2' ' A' ' 584' ' ' PHE . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 607' ' ' ILE . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.432 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.463 HD13 ' CE ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.568 ' CD1' ' HE3' ' A' ' 553' ' ' MET . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.568 ' HE3' ' CD1' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . 0.405 ' CD2' HD21 ' A' ' 565' ' ' LEU . 9.6 t60 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 563' ' ' HIS . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 610' ' ' ARG . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.46 ' CE ' HD13 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.46 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 543' ' ' ARG . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . 0.441 ' N ' HG12 ' A' ' 542' ' ' VAL . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.432 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.56 HG13 ' CD2' ' A' ' 584' ' ' PHE . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD13 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.47 HD13 ' CE ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.463 HD13 ' CG1' ' A' ' 609' ' ' VAL . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.505 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.462 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 597' ' ' MET . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.509 ' CD1' HG11 ' A' ' 589' ' ' VAL . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 584' ' ' PHE . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . 0.417 ' NE ' ' HE3' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' MET . . . . . 0.417 ' HE3' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 557' ' ' LYS . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD13 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.472 HD13 ' CE ' ' A' ' 600' ' ' MET . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.442 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.535 ' CD2' HG12 ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.552 ' CE1' ' HE1' ' A' ' 553' ' ' MET . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.547 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.552 ' HE1' ' CE1' ' A' ' 549' ' ' PHE . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.449 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.535 HG12 ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.422 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 584' ' ' PHE . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.517 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 599' ' ' GLY . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 600' ' ' MET . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . . . . . . . . . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.442 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.401 HD21 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 598' ' ' ASN . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.516 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.566 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.425 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 607' ' ' ILE . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 600' ' ' MET . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.516 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 551' ' ' TRP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 550' ' ' THR . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 560' ' ' GLU . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 589' ' ' VAL . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 584' ' ' PHE . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 600' ' ' MET . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.494 ' O ' ' ND2' ' A' ' 598' ' ' ASN . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.456 ' N ' ' HD3' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.521 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.559 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.559 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.547 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.547 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . 0.446 ' NE ' ' HE3' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' MET . . . . . 0.446 ' HE3' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.521 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 609' ' ' VAL . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.446 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.502 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.828 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.502 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.411 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.446 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . 0.411 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.473 HD11 ' CE ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.47 ' O ' ' CD ' ' A' ' 610' ' ' ARG . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.518 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.547 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 554' ' ' LEU . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.596 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.596 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 584' ' ' PHE . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . 0.514 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 578' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 584' ' ' PHE . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.514 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 589' ' ' VAL . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 584' ' ' PHE . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.46 ' HE1' ' CE ' ' A' ' 600' ' ' MET . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD12 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.492 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.472 HD12 ' CE ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.518 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.475 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.563 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 553' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.569 ' CD1' ' HE2' ' A' ' 597' ' ' MET . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 577' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 584' ' ' PHE . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 584' ' ' PHE . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.569 ' HE2' ' CD1' ' A' ' 558' ' ' PHE . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 607' ' ' ILE . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 600' ' ' MET . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.475 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.45 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 598' ' ' ASN . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.415 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.455 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . 0.485 ' CD2' HD21 ' A' ' 565' ' ' LEU . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 563' ' ' HIS . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 589' ' ' VAL . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 584' ' ' PHE . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.455 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.467 ' CE ' HD22 ' A' ' 602' ' ' LEU . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.467 HD22 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.466 HD12 ' CE ' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.484 ' N ' ' OD1' ' A' ' 598' ' ' ASN . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 609' ' ' VAL . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.44 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.44 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.416 ' N ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' HG13 ' A' ' 589' ' ' VAL . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 584' ' ' PHE . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 611' ' ' ILE . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.424 ' HE2' ' CE ' ' A' ' 600' ' ' MET . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD13 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.465 HD13 ' CE ' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.456 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.461 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 560' ' ' GLU . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.538 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 584' ' ' PHE . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.459 HD13 ' CE ' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 609' ' ' VAL . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 543' ' ' ARG . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . 0.45 ' N ' HG12 ' A' ' 542' ' ' VAL . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.514 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.514 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 560' ' ' GLU . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.563 ' CD2' HG11 ' A' ' 589' ' ' VAL . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.563 HG11 ' CD2' ' A' ' 584' ' ' PHE . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.405 ' OE2' ' NH2' ' A' ' 595' ' ' ARG . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 607' ' ' ILE . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.46 ' CD1' ' HB1' ' A' ' 590' ' ' ALA . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.442 ' CG2' ' SG ' ' A' ' 594' ' ' CYS . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.477 ' CD2' HG13 ' A' ' 589' ' ' VAL . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 584' ' ' PHE . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.446 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.442 ' SG ' ' CG2' ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.461 HD13 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.429 ' C ' HD21 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.493 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.493 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.428 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.428 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 589' ' ' VAL . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 584' ' ' PHE . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD13 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.472 HD13 ' CE ' ' A' ' 600' ' ' MET . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' ASN . . . . . 0.436 ' C ' HD21 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' PHE . . . . . 0.559 ' CD1' ' HE1' ' A' ' 597' ' ' MET . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' HIS . . . . . 0.55 ' CD2' HD22 ' A' ' 565' ' ' LEU . 5.7 t60 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 563' ' ' HIS . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.425 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.425 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' PHE . . . . . 0.457 ' CD1' ' CG1' ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' MET . . . . . 0.559 ' HE1' ' CD1' ' A' ' 558' ' ' PHE . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD12 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.465 HD12 ' CE ' ' A' ' 600' ' ' MET . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.2 t 67.22 41.15 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 37.7 t -109.61 -59.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 173.03 45.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 78.9 p -54.69 161.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 7.3 m -135.9 136.89 40.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -110.44 140.11 15.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.432 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -47.01 126.85 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 84.6 mtp -109.91 153.24 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -137.9 130.47 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 55.66 25.92 8.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.89 -12.81 60.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -110.42 137.03 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 23.1 m -65.42 154.49 38.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER -129.09 42.37 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.486 ' CD2' HG12 ' A' ' 589' ' ' VAL . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.486 HG12 ' CD2' ' A' ' 584' ' ' PHE . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 607' ' ' ILE . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.432 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.463 HD13 ' CE ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.81 98.58 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 614' ' ' ASN . 16.8 mmt180 -76.88 162.12 27.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 613' ' ' ARG . 40.7 m-20 36.42 49.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -68.54 -50.55 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 23.0 p -118.29 169.66 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 121.26 84.41 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.94 19.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 33.1 t -120.13 105.19 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 98.2 p -106.17 83.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.6 t -100.54 150.72 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 61.2 m -99.99 43.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 72.68 -85.04 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 67.9 m -157.72 118.2 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.9 p -79.87 125.78 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -98.05 129.87 10.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.568 ' CD1' ' HE3' ' A' ' 553' ' ' MET . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.568 ' HE3' ' CD1' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . 0.405 ' CD2' HD21 ' A' ' 565' ' ' LEU . 9.6 t60 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 563' ' ' HIS . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -48.14 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.4 mmm -86.35 168.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 572' ' ' GLU . 0.7 OUTLIER -172.54 148.83 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . 0.406 ' CB ' ' OE1' ' A' ' 572' ' ' GLU . 14.5 t-20 55.18 29.85 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 73.59 -3.71 32.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -122.8 168.92 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 28.9 t -89.5 131.7 35.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt -99.01 34.48 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 610' ' ' ARG . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.46 ' CE ' HD13 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.46 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.36 88.55 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -78.28 97.86 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -73.76 105.96 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.36 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -135.67 121.83 20.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -54.3 -172.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 98.06 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 59.7 p -95.8 130.27 42.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 21.7 m -71.02 -49.81 40.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 534' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 533' ' ' GLY . 88.8 p -35.87 152.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 56.8 p -100.03 89.05 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -140.79 -140.05 3.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.4 p -124.85 100.7 6.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 26.2 t -104.27 77.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.99 124.02 19.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 543' ' ' ARG . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . 0.441 ' N ' HG12 ' A' ' 542' ' ' VAL . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.432 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.432 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.49 107.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 97.9 mtp -96.81 -179.87 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -174.15 119.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.16 29.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.72 -21.29 6.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 154.59 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 48.4 t -76.62 149.78 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -110.62 18.31 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.56 HG13 ' CD2' ' A' ' 584' ' ' PHE . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD13 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.47 HD13 ' CE ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.23 39.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.428 ' CG ' HG21 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -66.96 164.21 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.03 -54.76 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -44.19 99.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 29.8 t -155.95 161.85 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.31 150.7 5.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.56 26.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 79.3 p -105.78 143.1 34.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 44.2 t -174.79 144.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 8.2 t -135.69 134.55 39.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 23.0 t -72.37 -48.73 39.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.79 140.41 7.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.6 t -128.6 144.63 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 70.8 m -106.39 -43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 66.1 130.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.463 HD13 ' CG1' ' A' ' 609' ' ' VAL . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.505 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.462 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 597' ' ' MET . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 105.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 56.8 mtp -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 36.9 tt0 -173.72 129.16 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 65.21 27.03 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.54 -22.35 13.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 158.92 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 10.3 t -79.68 145.85 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 23.2 mmmt -104.92 16.7 25.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.509 ' CD1' HG11 ' A' ' 589' ' ' VAL . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 584' ' ' PHE . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.417 ' NE ' ' HE3' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' MET . . . . . 0.417 ' HE3' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 557' ' ' LYS . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD13 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.472 HD13 ' CE ' ' A' ' 600' ' ' MET . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.72 103.88 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -103.51 -175.24 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.76 177.81 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -104.15 -56.72 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.4 t -42.08 -61.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 158.98 143.23 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 167.4 24.55 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 20.3 m -153.76 157.31 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 55.1 p -154.26 157.83 39.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.8 t -77.2 151.65 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.8 t -67.86 86.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -118.62 67.85 0.35 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 584' ' ' PHE . 30.6 m -80.07 168.34 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 49.7 p -93.67 100.53 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . -81.71 140.67 21.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.442 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.535 ' CD2' HG12 ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.552 ' CE1' ' HE1' ' A' ' 553' ' ' MET . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.547 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.552 ' HE1' ' CE1' ' A' ' 549' ' ' PHE . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.449 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -52.01 111.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 57.1 mtp -90.15 163.58 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -153.61 113.74 3.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 73.58 25.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 87.18 -18.17 38.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -107.84 158.78 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 47.9 m -83.83 144.61 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -111.67 21.77 15.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.535 HG12 ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.422 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 584' ' ' PHE . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.517 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 599' ' ' GLY . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 600' ' ' MET . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . . . . . . . . . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.442 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.54 94.52 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.85 112.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -47.78 136.01 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -119.9 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 p -163.2 143.89 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 64.99 144.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.88 36.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 80.0 p -97.72 121.89 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 60.8 p -46.76 131.72 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 99.8 p -39.37 147.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -147.44 167.42 24.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 44.0 -135.49 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 60.9 m -121.36 132.68 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 68.4 m -58.88 -55.58 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 55.78 106.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.401 HD21 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -54.52 106.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 68.9 mtp -91.38 165.6 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.99 115.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 69.88 28.97 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.72 -16.58 30.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -110.07 146.07 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 75.4 p -79.23 134.31 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -92.0 16.94 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 598' ' ' ASN . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.67 48.95 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 613' ' ' ARG . 0.5 OUTLIER -80.06 155.19 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.27 87.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -61.65 106.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -165.51 144.12 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 105.08 -158.18 16.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 93.6 p -55.15 103.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 621' ' ' GLY . 44.1 t -71.18 101.79 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 620' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 38.1 t -39.81 -54.93 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.6 t -56.19 104.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -113.2 109.68 2.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 70.7 m -45.32 112.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 75.2 m -73.01 81.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.53 128.22 29.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.516 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.566 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -49.35 105.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' MET . . . . . 0.426 ' HE2' ' N ' ' A' ' 575' ' ' LYS . 65.9 mtp -100.07 139.69 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.27 92.29 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.27 44.26 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.09 33.71 35.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' ' 571' ' ' MET . 6.6 mtpt -140.02 120.84 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 7.4 t -69.26 97.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt -85.77 39.58 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.425 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 607' ' ' ILE . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 600' ' ' MET . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.516 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 613' ' ' ARG . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.53 45.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.447 ' CG ' HG22 ' A' ' 611' ' ' ILE . 4.3 ppt_? -76.93 154.46 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -118.28 171.67 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -92.02 87.08 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.1 m -132.07 88.03 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -66.88 -176.88 8.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.0 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 68.0 m -148.13 177.31 9.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.2 t -98.75 95.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 t -110.59 98.66 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 20.3 m -60.24 -57.19 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 96.09 58.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 73.8 m -143.57 125.76 15.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 94.2 p -119.79 126.57 51.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -131.93 138.57 10.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 551' ' ' TRP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 550' ' ' THR . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 560' ' ' GLU . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -49.49 113.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.03 173.3 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -165.27 123.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 61.83 25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 87.13 -20.33 26.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -102.76 140.84 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 18.9 t -69.83 147.38 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -108.46 17.7 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 589' ' ' VAL . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 584' ' ' PHE . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 600' ' ' MET . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.494 ' O ' ' ND2' ' A' ' 598' ' ' ASN . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.456 ' N ' ' HD3' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.9 72.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 140.07 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.75 -53.86 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -140.52 164.3 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 54.1 p -77.86 144.11 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.98 -171.7 43.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 108.29 2.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 18.0 p -156.25 162.13 40.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.2 t -87.52 -52.93 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 40.95 18.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 30.3 m -100.45 130.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -89.69 47.89 3.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -161.61 107.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 45.0 m -84.4 86.75 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -64.93 127.58 33.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.521 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.559 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.492 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.559 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -50.01 132.94 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 73.2 mtp -122.15 163.27 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -130.9 104.73 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 64.35 31.23 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.02 37.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -134.25 129.69 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.407 ' C ' ' HE2' ' A' ' 577' ' ' LYS . 38.5 p -74.67 115.8 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.407 ' HE2' ' C ' ' A' ' 576' ' ' SER . 8.0 mmpt? -96.08 30.53 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.547 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.547 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . 0.446 ' NE ' ' HE3' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' MET . . . . . 0.446 ' HE3' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.521 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.76 100.13 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.56 117.39 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.41 -44.04 75.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -156.44 140.79 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 16.5 t -73.67 116.61 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.39 124.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 45.8 m -155.94 114.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 92.9 p -151.82 131.26 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.7 t -120.96 131.21 54.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.0 t -88.81 -52.77 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -142.21 90.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 25.6 p -69.4 77.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.8 m -43.23 -53.18 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 57.78 115.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 609' ' ' VAL . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.446 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.509 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.502 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -39.93 103.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.9 mtp -92.79 167.03 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -167.18 118.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.2 t30 71.09 27.96 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.31 -17.29 13.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -104.33 156.75 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 74.4 m -83.69 141.22 31.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -101.9 26.01 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.502 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.411 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.446 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . 0.411 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.473 HD11 ' CE ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.47 ' O ' ' CD ' ' A' ' 610' ' ' ARG . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.84 63.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -48.78 119.21 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -38.7 155.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -66.14 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.0 m -155.72 155.93 33.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -146.45 77.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.23 57.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.8 t -88.75 128.8 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.6 t -115.79 -57.13 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 68.6 m -100.69 151.11 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 12.6 t -79.3 -45.81 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 170.06 149.23 6.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 16.0 t -67.55 143.16 56.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 46.9 m -141.0 151.79 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -121.44 132.63 9.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.518 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.547 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 554' ' ' LEU . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.596 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.596 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 584' ' ' PHE . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . 0.514 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -39.32 108.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 29.2 mtp -96.94 141.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -108.83 94.61 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 61.97 40.58 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 78.38 36.49 30.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -139.79 145.45 38.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 2.2 p -87.76 98.18 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 578' ' ' GLY . 1.0 OUTLIER -89.57 33.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 584' ' ' PHE . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.514 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 589' ' ' VAL . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 584' ' ' PHE . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.46 ' HE1' ' CE ' ' A' ' 600' ' ' MET . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD12 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.492 ' CD1' ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.472 HD12 ' CE ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.518 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.11 103.94 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 157.18 18.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.52 37.05 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.3 132.05 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 24.9 m -102.64 88.48 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -177.85 141.42 5.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.74 69.46 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 53.3 p -55.68 155.66 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.0 t -104.43 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.0 t -48.08 -54.15 14.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 8.3 t -97.46 -49.5 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.33 -132.95 10.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 84.2 p -51.21 113.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.864 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 70.5 m -91.93 98.25 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -70.39 124.41 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.475 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.563 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 553' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.569 ' CD1' ' HE2' ' A' ' 597' ' ' MET . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER -38.77 135.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.1 mtp -124.96 153.03 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -160.46 135.02 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 60.93 26.19 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.51 -14.1 42.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 149.93 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 59.9 p -71.15 154.09 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 577' ' ' LYS . 0.3 OUTLIER -114.72 33.65 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 584' ' ' PHE . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 584' ' ' PHE . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.569 ' HE2' ' CD1' ' A' ' 558' ' ' PHE . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 607' ' ' ILE . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 600' ' ' MET . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.475 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.58 110.68 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.92 80.52 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -40.75 -48.13 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.01 169.13 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.6 p -95.36 95.22 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -151.03 155.62 26.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -43.92 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 78.3 p 37.33 42.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 16.6 t -71.42 126.62 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 92.4 p -93.09 42.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 9.3 m 58.83 40.51 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 134.11 93.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.7 t -129.96 41.58 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 31.9 m -62.13 89.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.05 125.42 24.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.45 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -51.05 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 40.0 mtp -83.55 160.0 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -162.54 122.42 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 72.57 28.85 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 82.48 -21.15 7.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 153.38 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 83.9 p -81.92 133.98 35.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -86.03 18.53 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 598' ' ' ASN . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.9 106.49 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.13 106.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -84.82 86.05 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 55.7 45.6 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 5.0 t -121.74 132.06 54.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.7 86.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.79 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.727 2.284 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 10.7 m -69.8 120.65 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.1 t -94.25 134.83 36.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 13.2 p -126.67 -30.55 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 86.6 p -61.59 -39.78 92.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 76.84 -100.25 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.0 t -139.57 156.3 46.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.9 t -113.64 36.9 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -38.66 127.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.415 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.415 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.455 ' CD1' ' HE3' ' A' ' 597' ' ' MET . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . 0.485 ' CD2' HD21 ' A' ' 565' ' ' LEU . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 563' ' ' HIS . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -64.26 102.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 93.7 mtp -93.66 -176.4 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -173.0 139.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.25 28.59 11.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.08 22.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -107.68 148.32 29.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.2 m -78.64 131.56 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -93.73 30.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 589' ' ' VAL . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 584' ' ' PHE . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.455 ' HE3' ' CD1' ' A' ' 558' ' ' PHE . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.467 ' CE ' HD22 ' A' ' 602' ' ' LEU . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.467 HD22 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.466 HD12 ' CE ' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.484 ' N ' ' OD1' ' A' ' 598' ' ' ASN . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.24 78.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.24 -49.67 68.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.7 140.27 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.15 81.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 1.7 t -42.23 -55.36 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 159.72 84.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.12 22.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 63.1 m -40.13 103.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 6.5 t -148.67 177.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.0 t -124.4 99.37 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 137.69 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 152.44 -121.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -62.83 90.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 t -85.61 143.37 28.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -108.58 136.79 13.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 609' ' ' VAL . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.44 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -53.52 104.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -91.57 163.5 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . 0.425 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 30.7 tt0 -146.15 107.88 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.8 t30 73.63 25.26 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 90.39 -18.03 51.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -101.05 149.27 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 89.4 p -83.12 118.74 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.425 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 10.2 mmmm -92.66 30.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.44 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.416 ' N ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' HG13 ' A' ' 589' ' ' VAL . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 584' ' ' PHE . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 611' ' ' ILE . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.424 ' HE2' ' CE ' ' A' ' 600' ' ' MET . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD13 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.465 HD13 ' CE ' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.45 58.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.28 137.21 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.91 103.12 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -138.01 110.98 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 17.1 t 64.78 32.17 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -63.98 -150.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.92 67.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 60.2 p -43.22 131.15 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 84.7 p -145.01 109.28 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 535' ' ' SER . 2.5 m -82.34 41.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 534' ' ' SER . 16.8 m 34.54 40.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.23 71.24 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 104.83 13.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 1.2 p -121.1 -48.23 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 49.89 100.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.456 ' CD1' ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.461 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 560' ' ' GLU . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -71.62 66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' MET . . . . . 0.489 ' CB ' ' HA ' ' A' ' 576' ' ' SER . 1.9 ptp -85.61 171.66 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -153.44 145.85 24.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 55.02 31.87 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.5 -16.36 10.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . 0.425 ' HE2' ' NZ ' ' A' ' 577' ' ' LYS . 17.3 ptmt -107.96 131.89 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.489 ' HA ' ' CB ' ' A' ' 571' ' ' MET . 48.4 t -61.35 161.49 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.425 ' NZ ' ' HE2' ' A' ' 575' ' ' LYS . 9.0 mmpt? -125.28 20.75 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.538 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 584' ' ' PHE . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD22 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.459 HD13 ' CE ' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.03 66.29 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -38.65 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -92.24 -58.51 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -78.39 84.46 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.9 t -114.61 96.53 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -93.69 -171.12 39.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 35.3 t -41.36 -47.08 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.2 t -139.12 150.22 45.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.7 t -126.78 84.66 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 38.5 t -112.14 116.19 30.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 174.63 -159.42 28.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.1 t 53.33 46.24 26.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 539' ' ' GLY . 40.2 m -153.58 177.01 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 538' ' ' SER . . . 34.2 91.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 609' ' ' VAL . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 543' ' ' ARG . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . 0.45 ' N ' HG12 ' A' ' 542' ' ' VAL . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.514 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.514 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 560' ' ' GLU . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.01 96.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 25.0 mtp -91.06 146.95 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.5 87.87 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 61.46 38.49 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 85.02 20.17 58.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -129.96 83.21 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 1.9 t -45.17 120.26 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER -96.27 18.94 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.563 ' CD2' HG11 ' A' ' 589' ' ' VAL . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.563 HG11 ' CD2' ' A' ' 584' ' ' PHE . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.405 ' OE2' ' NH2' ' A' ' 595' ' ' ARG . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 607' ' ' ILE . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.46 ' CD1' ' HB1' ' A' ' 590' ' ' ALA . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.15 61.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -29.63 70.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.34 161.63 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -84.69 141.38 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 94.3 p -45.89 115.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.54 -100.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 100.83 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.289 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 17.7 t -113.27 -33.48 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 64.5 p -64.91 133.08 51.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.5 m -72.26 99.84 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.8 t -161.37 150.57 16.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 85.04 165.47 40.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 17.4 m -52.61 173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 95.0 p -143.11 116.35 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -104.31 125.62 8.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.442 ' CG2' ' SG ' ' A' ' 594' ' ' CYS . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -61.77 120.1 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.67 163.27 12.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . 0.418 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 33.2 tt0 -153.27 114.61 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 73.68 27.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.53 -11.2 46.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 140.44 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 9.7 t -69.13 138.98 54.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.418 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 1.3 mmmp? -109.32 24.77 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.477 ' CD2' HG13 ' A' ' 589' ' ' VAL . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 584' ' ' PHE . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.446 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.442 ' SG ' ' CG2' ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.47 ' CE ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 87.03 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -81.01 119.87 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -79.13 136.62 37.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 69.04 37.69 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 p -60.7 122.42 14.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -157.18 120.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.2 t -137.75 152.86 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 1.5 t -48.96 -59.82 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 32.4 t -73.37 162.9 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 18.4 m -67.5 165.48 16.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.38 -149.34 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m 60.94 36.11 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 50.2 m -51.26 127.84 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -128.52 127.07 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.461 HD13 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.429 ' C ' HD21 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.493 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.493 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.428 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -48.81 112.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 80.8 mtp -95.46 162.86 13.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.15 124.14 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.6 m120 60.18 29.55 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.42 -18.9 30.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -110.45 143.96 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.6 t -73.78 154.05 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.59 17.49 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.428 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 589' ' ' VAL . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 584' ' ' PHE . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.472 ' CE ' HD13 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.472 HD13 ' CE ' ' A' ' 600' ' ' MET . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.07 -23.14 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 58.92 27.96 16.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -86.74 103.32 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -98.93 148.09 24.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.8 p -85.04 54.44 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -159.33 94.92 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -46.05 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 26.9 t -99.53 132.87 44.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 78.2 p -91.48 163.02 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 94.6 p -74.79 -24.26 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.0 t -75.94 -48.27 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 94.83 173.68 37.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 t -80.9 105.06 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.81 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.2 p -98.12 117.52 32.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -125.58 125.42 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' ASN . . . . . 0.436 ' C ' HD21 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' PHE . . . . . 0.559 ' CD1' ' HE1' ' A' ' 597' ' ' MET . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' HIS . . . . . 0.55 ' CD2' HD22 ' A' ' 565' ' ' LEU . 5.7 t60 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 563' ' ' HIS . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -43.07 121.24 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 57.1 mtp -104.89 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -174.92 119.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 67.08 28.64 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.11 -20.48 20.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 165.7 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 71.0 p -93.41 138.36 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -101.28 25.57 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.425 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.425 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' PHE . . . . . 0.457 ' CD1' ' CG1' ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.457 ' CG1' ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' MET . . . . . 0.559 ' HE1' ' CD1' ' A' ' 558' ' ' PHE . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' MET . . . . . 0.465 ' CE ' HD12 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.465 HD12 ' CE ' ' A' ' 600' ' ' MET . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.79 52.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -47.83 141.46 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -143.43 130.83 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -81.96 96.99 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 47.0 t -50.42 -42.64 54.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -173.17 -157.72 15.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.33 35.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 47.2 t -42.7 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 76.6 p -173.15 175.21 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.923 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 609' ' ' VAL . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 607' ' ' ILE . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 582' ' ' VAL . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 564' ' ' VAL . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 600' ' ' MET . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.542 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.923 ' CG1' HD12 ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 609' ' ' VAL . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 607' ' ' ILE . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.585 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.585 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.433 ' SG ' HG12 ' A' ' 609' ' ' VAL . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' MET . . . . . 0.423 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.532 ' CG ' HD11 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 549' ' ' PHE . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.532 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.921 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' A' ' 582' ' ' VAL . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.402 HG22 ' HG ' ' A' ' 554' ' ' LEU . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.892 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.577 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 600' ' ' MET . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.577 HD11 ' CG ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.921 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 539' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.837 HG22 HD13 ' A' ' 611' ' ' ILE . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.631 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.523 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.493 HD22 HD13 ' A' ' 569' ' ' ILE . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 564' ' ' VAL . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.473 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 555' ' ' LYS . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 554' ' ' LEU . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 581' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.68 HG22 ' HE2' ' A' ' 570' ' ' LYS . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.414 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.547 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.457 ' NE ' ' HE2' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' MET . . . . . 0.457 ' HE2' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.484 ' HE1' ' HA ' ' A' ' 558' ' ' PHE . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.597 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 549' ' ' PHE . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.631 HG21 HD23 ' A' ' 545' ' ' LEU . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 540' ' ' ILE . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 539' ' ' GLY . . . . . 0.433 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.928 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.501 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 607' ' ' ILE . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.446 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.542 ' HA ' HG11 ' A' ' 564' ' ' VAL . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 555' ' ' LYS . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.433 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.471 ' CB ' HG21 ' A' ' 609' ' ' VAL . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.561 ' CE ' HD11 ' A' ' 607' ' ' ILE . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 600' ' ' MET . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.561 HD11 ' CE ' ' A' ' 600' ' ' MET . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.928 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.661 HD11 ' CA ' ' A' ' 591' ' ' GLU . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.871 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 609' ' ' VAL . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 607' ' ' ILE . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.577 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.577 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.563 ' HD2' ' HE1' ' A' ' 597' ' ' MET . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.657 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' A' ' 562' ' ' GLY . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.721 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.563 ' HE1' ' HD2' ' A' ' 557' ' ' LYS . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.665 ' CG ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.589 HD21 ' HE3' ' A' ' 600' ' ' MET . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.665 HD11 ' CG ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.871 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.721 HD11 ' CA ' ' A' ' 591' ' ' GLU . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 1.022 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 609' ' ' VAL . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 607' ' ' ILE . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 607' ' ' ILE . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 581' ' ' VAL . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.65 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.408 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.59 ' O ' HD21 ' A' ' 554' ' ' LEU . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 584' ' ' PHE . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.688 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.413 ' HD3' ' HE2' ' A' ' 596' ' ' MET . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' MET . . . . . 0.413 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.65 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.636 ' CE ' HD21 ' A' ' 602' ' ' LEU . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.636 HD21 ' CE ' ' A' ' 600' ' ' MET . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 543' ' ' ARG . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.022 ' CG1' HD12 ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.715 HD13 HG22 ' A' ' 540' ' ' ILE . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.904 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.63 ' O ' HG22 ' A' ' 607' ' ' ILE . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 607' ' ' ILE . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 550' ' ' THR . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 548' ' ' ASP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.471 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.637 HG13 HH21 ' A' ' 592' ' ' ARG . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.695 ' CA ' HD11 ' A' ' 611' ' ' ILE . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.637 HH21 HG13 ' A' ' 589' ' ' VAL . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.57 ' CG ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 549' ' ' PHE . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 543' ' ' ARG . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.904 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.695 HD11 ' CA ' ' A' ' 591' ' ' GLU . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 1.041 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 545' ' ' LEU . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 607' ' ' ILE . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.694 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.694 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.424 ' HA ' HG11 ' A' ' 564' ' ' VAL . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.688 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 555' ' ' LYS . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.473 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.426 ' NE ' ' HE1' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' MET . . . . . 0.426 ' HE1' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.528 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.632 HD13 ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.041 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 591' ' ' GLU . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.601 HG22 HD13 ' A' ' 611' ' ' ILE . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 607' ' ' ILE . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.579 HD23 HG21 ' A' ' 607' ' ' ILE . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 550' ' ' THR . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 548' ' ' ASP . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.529 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.529 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 540' ' ' ILE . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.828 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 562' ' ' GLY . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.89 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.69 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.69 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 540' ' ' ILE . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.965 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.431 ' O ' HG22 ' A' ' 607' ' ' ILE . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.688 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 564' ' ' VAL . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' TYR . . . . . 0.536 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 577' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 578' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.731 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.575 ' CG ' HD11 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.688 HD13 ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.575 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.965 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.766 HD13 HG22 ' A' ' 540' ' ' ILE . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 1.023 HD12 ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 609' ' ' VAL . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.635 ' O ' HG22 ' A' ' 607' ' ' ILE . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.64 HD23 HG21 ' A' ' 607' ' ' ILE . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 567' ' ' ALA . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.748 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.681 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.684 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.748 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 602' ' ' LEU . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 600' ' ' MET . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.64 HG21 HD23 ' A' ' 545' ' ' LEU . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 1.023 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.684 HD11 ' CA ' ' A' ' 591' ' ' GLU . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.864 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 607' ' ' ILE . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.692 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.828 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.428 ' HD3' ' HE1' ' A' ' 596' ' ' MET . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' MET . . . . . 0.428 ' HE1' ' HD3' ' A' ' 592' ' ' ARG . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.468 ' HE3' ' SD ' ' A' ' 600' ' ' MET . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.645 ' CG ' HD11 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.864 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.869 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.435 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.535 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.535 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 607' ' ' ILE . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.638 HD21 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.655 HD11 ' HE3' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ASP . . . . . 0.435 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.869 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 591' ' ' GLU . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 611' ' ' ILE . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 545' ' ' LEU . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 607' ' ' ILE . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 542' ' ' VAL . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.531 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.671 HD21 ' O ' ' A' ' 581' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.695 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 585' ' ' GLU . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.671 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.433 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.428 ' N ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 565' ' ' LEU . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.735 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.627 ' HE2' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 549' ' ' PHE . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.627 HD11 ' HE2' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.691 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.735 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.939 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.518 HG13 HG22 ' A' ' 609' ' ' VAL . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.62 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.438 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 550' ' ' THR . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 548' ' ' ASP . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.476 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.476 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.643 ' HE2' HD11 ' A' ' 540' ' ' ILE . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.84 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.72 ' CE ' HD21 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.72 HD21 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' HE3' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.939 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.994 HG22 HD13 ' A' ' 611' ' ' ILE . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.52 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.52 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.525 ' HA ' HG11 ' A' ' 564' ' ' VAL . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 555' ' ' LYS . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 577' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.738 HG13 HH21 ' A' ' 592' ' ' ARG . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.493 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' ARG . . . . . 0.738 HH21 HG13 ' A' ' 589' ' ' VAL . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.492 ' CB ' HG21 ' A' ' 609' ' ' VAL . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.666 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.666 HD21 ' HE3' ' A' ' 600' ' ' MET . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.616 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.994 HD13 HG22 ' A' ' 540' ' ' ILE . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.961 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 564' ' ' VAL . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 555' ' ' LYS . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.405 HG12 ' CE1' ' A' ' 584' ' ' PHE . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.488 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 549' ' ' PHE . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.961 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 540' ' ' ILE . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.825 HD12 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.509 ' N ' HG12 ' A' ' 542' ' ' VAL . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 546' ' ' PRO . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.515 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 581' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' LYS . . . . . 0.574 ' O ' HG21 ' A' ' 564' ' ' VAL . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.665 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 555' ' ' LYS . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 585' ' ' GLU . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.44 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.422 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' A' ' 565' ' ' LEU . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.66 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.655 ' HG3' HD11 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.663 HG21 HD23 ' A' ' 545' ' ' LEU . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.825 ' CG1' HD12 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.66 HD11 ' CA ' ' A' ' 591' ' ' GLU . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.751 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 607' ' ' ILE . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 607' ' ' ILE . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 550' ' ' THR . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 548' ' ' ASP . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' PHE . . . . . 0.668 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 563' ' ' HIS . . . . . 0.419 ' CE1' HD23 ' A' ' 565' ' ' LEU . 7.2 t-80 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' A' ' 563' ' ' HIS . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.435 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 584' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.786 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' MET . . . . . 0.498 ' CB ' HG21 ' A' ' 609' ' ' VAL . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' MET . . . . . 0.601 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 549' ' ' PHE . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 543' ' ' ARG . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.751 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.786 HD11 ' CA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.2 t 67.22 41.15 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 37.7 t -109.61 -59.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 173.03 45.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 78.9 p -54.69 161.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 7.3 m -135.9 136.89 40.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -110.44 140.11 15.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.923 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 609' ' ' VAL . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 607' ' ' ILE . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 582' ' ' VAL . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -47.01 126.85 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 84.6 mtp -109.91 153.24 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -137.9 130.47 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 55.66 25.92 8.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.89 -12.81 60.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -110.42 137.03 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 23.1 m -65.42 154.49 38.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER -129.09 42.37 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 564' ' ' VAL . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 600' ' ' MET . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.542 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.923 ' CG1' HD12 ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.81 98.58 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 614' ' ' ASN . 16.8 mmt180 -76.88 162.12 27.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 613' ' ' ARG . 40.7 m-20 36.42 49.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -68.54 -50.55 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 23.0 p -118.29 169.66 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 121.26 84.41 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.94 19.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 33.1 t -120.13 105.19 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 98.2 p -106.17 83.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.6 t -100.54 150.72 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 61.2 m -99.99 43.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 72.68 -85.04 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 67.9 m -157.72 118.2 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.9 p -79.87 125.78 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -98.05 129.87 10.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 609' ' ' VAL . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 607' ' ' ILE . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.585 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.585 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -48.14 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.4 mmm -86.35 168.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 572' ' ' GLU . 0.7 OUTLIER -172.54 148.83 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ASN . . . . . 0.406 ' CB ' ' OE1' ' A' ' 572' ' ' GLU . 14.5 t-20 55.18 29.85 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 73.59 -3.71 32.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -122.8 168.92 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 28.9 t -89.5 131.7 35.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt -99.01 34.48 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.433 ' SG ' HG12 ' A' ' 609' ' ' VAL . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' MET . . . . . 0.423 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.532 ' CG ' HD11 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 549' ' ' PHE . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.532 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.36 88.55 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -78.28 97.86 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -73.76 105.96 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.36 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -135.67 121.83 20.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -54.3 -172.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 98.06 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 59.7 p -95.8 130.27 42.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 21.7 m -71.02 -49.81 40.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 533' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 534' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 533' ' ' GLY . 88.8 p -35.87 152.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 56.8 p -100.03 89.05 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -140.79 -140.05 3.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.4 p -124.85 100.7 6.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 26.2 t -104.27 77.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.99 124.02 19.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.921 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 543' ' ' ARG . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' A' ' 582' ' ' VAL . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.49 107.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 97.9 mtp -96.81 -179.87 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.406 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 24.4 tt0 -174.15 119.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.16 29.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.72 -21.29 6.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' LYS . . . . . 0.413 ' HE3' ' CD ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER -107.12 154.59 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 48.4 t -76.62 149.78 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.413 ' CD ' ' HE3' ' A' ' 575' ' ' LYS . 23.9 mmmt -110.62 18.31 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.402 HG22 ' HG ' ' A' ' 554' ' ' LEU . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.892 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.577 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 600' ' ' MET . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.577 HD11 ' CG ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.921 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.23 39.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.587 ' H ' HG22 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -66.96 164.21 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -115.03 -54.76 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -44.19 99.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 29.8 t -155.95 161.85 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.31 150.7 5.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.56 26.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 79.3 p -105.78 143.1 34.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 44.2 t -174.79 144.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 8.2 t -135.69 134.55 39.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 23.0 t -72.37 -48.73 39.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.79 140.41 7.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.6 t -128.6 144.63 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 70.8 m -106.39 -43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . 66.1 130.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.837 HG22 HD13 ' A' ' 611' ' ' ILE . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.631 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.523 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.493 HD22 HD13 ' A' ' 569' ' ' ILE . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 564' ' ' VAL . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.473 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 555' ' ' LYS . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 554' ' ' LEU . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 581' ' ' VAL . 0.2 OUTLIER -56.72 105.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 56.8 mtp -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 36.9 tt0 -173.72 129.16 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 65.21 27.03 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.54 -22.35 13.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 158.92 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 10.3 t -79.68 145.85 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 23.2 mmmt -104.92 16.7 25.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.68 HG22 ' HE2' ' A' ' 570' ' ' LYS . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.414 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.547 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.457 ' NE ' ' HE2' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' MET . . . . . 0.457 ' HE2' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.484 ' HE1' ' HA ' ' A' ' 558' ' ' PHE . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.597 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 549' ' ' PHE . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.631 HG21 HD23 ' A' ' 545' ' ' LEU . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 540' ' ' ILE . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.72 103.88 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -103.51 -175.24 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -84.76 177.81 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -104.15 -56.72 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.4 t -42.08 -61.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 158.98 143.23 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 167.4 24.55 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 20.3 m -153.76 157.31 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 55.1 p -154.26 157.83 39.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.8 t -77.2 151.65 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.8 t -67.86 86.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -118.62 67.85 0.35 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 584' ' ' PHE . 30.6 m -80.07 168.34 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.4 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 49.7 p -93.67 100.53 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' GLY . . . . . 0.433 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . -81.71 140.67 21.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.928 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.501 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 607' ' ' ILE . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.446 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.542 ' HA ' HG11 ' A' ' 564' ' ' VAL . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 555' ' ' LYS . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -52.01 111.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' MET . . . . . 0.408 ' HE1' ' O ' ' A' ' 574' ' ' GLY . 57.1 mtp -90.15 163.58 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -153.61 113.74 3.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 73.58 25.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.408 ' O ' ' HE1' ' A' ' 571' ' ' MET . . . 87.18 -18.17 38.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -107.84 158.78 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 47.9 m -83.83 144.61 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -111.67 21.77 15.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.433 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.471 ' CB ' HG21 ' A' ' 609' ' ' VAL . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.561 ' CE ' HD11 ' A' ' 607' ' ' ILE . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 600' ' ' MET . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.561 HD11 ' CE ' ' A' ' 600' ' ' MET . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.928 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.661 HD11 ' CA ' ' A' ' 591' ' ' GLU . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.54 94.52 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.85 112.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -47.78 136.01 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -119.9 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 p -163.2 143.89 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 64.99 144.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.88 36.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 80.0 p -97.72 121.89 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 60.8 p -46.76 131.72 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 99.8 p -39.37 147.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -147.44 167.42 24.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 44.0 -135.49 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 60.9 m -121.36 132.68 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 68.4 m -58.88 -55.58 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 55.78 106.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.871 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 609' ' ' VAL . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 607' ' ' ILE . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.577 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.577 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.563 ' HD2' ' HE1' ' A' ' 597' ' ' MET . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.657 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -54.52 106.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 68.9 mtp -91.38 165.6 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.99 115.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.88 28.97 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.72 -16.58 30.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -110.07 146.07 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 75.4 p -79.23 134.31 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -92.0 16.94 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' A' ' 562' ' ' GLY . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.721 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.563 ' HE1' ' HD2' ' A' ' 557' ' ' LYS . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.665 ' CG ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.589 HD21 ' HE3' ' A' ' 600' ' ' MET . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.665 HD11 ' CG ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.871 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.721 HD11 ' CA ' ' A' ' 591' ' ' GLU . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.67 48.95 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.499 ' H ' HG22 ' A' ' 611' ' ' ILE . 0.5 OUTLIER -80.06 155.19 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.27 87.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -61.65 106.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -165.51 144.12 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 105.08 -158.18 16.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 93.6 p -55.15 103.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 621' ' ' GLY . 44.1 t -71.18 101.79 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 620' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 38.1 t -39.81 -54.93 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.6 t -56.19 104.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -113.2 109.68 2.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 70.7 m -45.32 112.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 75.2 m -73.01 81.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.53 128.22 29.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 1.022 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 609' ' ' VAL . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 607' ' ' ILE . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 607' ' ' ILE . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 581' ' ' VAL . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.65 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.408 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -49.35 105.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' MET . . . . . 0.431 ' HE2' ' C ' ' A' ' 575' ' ' LYS . 65.9 mtp -100.07 139.69 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.27 92.29 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.27 44.26 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.09 33.71 35.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' LYS . . . . . 0.431 ' C ' ' HE2' ' A' ' 571' ' ' MET . 6.6 mtpt -140.02 120.84 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 7.4 t -69.26 97.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt -85.77 39.58 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.59 ' O ' HD21 ' A' ' 554' ' ' LEU . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 584' ' ' PHE . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.688 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.413 ' HD3' ' HE2' ' A' ' 596' ' ' MET . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' MET . . . . . 0.413 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.65 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.636 ' CE ' HD21 ' A' ' 602' ' ' LEU . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.636 HD21 ' CE ' ' A' ' 600' ' ' MET . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 543' ' ' ARG . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.022 ' CG1' HD12 ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.715 HD13 HG22 ' A' ' 540' ' ' ILE . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.53 45.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.473 ' H ' HG22 ' A' ' 611' ' ' ILE . 4.3 ppt_? -76.93 154.46 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -118.28 171.67 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -92.02 87.08 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.1 m -132.07 88.03 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -66.88 -176.88 8.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.0 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 68.0 m -148.13 177.31 9.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.2 t -98.75 95.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 t -110.59 98.66 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 20.3 m -60.24 -57.19 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 96.09 58.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 73.8 m -143.57 125.76 15.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 94.2 p -119.79 126.57 51.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -131.93 138.57 10.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.904 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.63 ' O ' HG22 ' A' ' 607' ' ' ILE . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 607' ' ' ILE . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 550' ' ' THR . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 548' ' ' ASP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.471 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -49.49 113.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.03 173.3 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -165.27 123.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 61.83 25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 87.13 -20.33 26.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -102.76 140.84 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 18.9 t -69.83 147.38 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -108.46 17.7 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.637 HG13 HH21 ' A' ' 592' ' ' ARG . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.695 ' CA ' HD11 ' A' ' 611' ' ' ILE . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.637 HH21 HG13 ' A' ' 589' ' ' VAL . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.57 ' CG ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 549' ' ' PHE . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 543' ' ' ARG . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.904 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.695 HD11 ' CA ' ' A' ' 591' ' ' GLU . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.9 72.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 140.07 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.75 -53.86 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -140.52 164.3 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 54.1 p -77.86 144.11 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.98 -171.7 43.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 108.29 2.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 18.0 p -156.25 162.13 40.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.2 t -87.52 -52.93 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 40.95 18.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 30.3 m -100.45 130.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -89.69 47.89 3.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -161.61 107.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 45.0 m -84.4 86.75 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -64.93 127.58 33.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 1.041 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 545' ' ' LEU . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 607' ' ' ILE . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.694 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.694 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.424 ' HA ' HG11 ' A' ' 564' ' ' VAL . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.688 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 555' ' ' LYS . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -50.01 132.94 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 73.2 mtp -122.15 163.27 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -130.9 104.73 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 64.35 31.23 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.02 37.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -134.25 129.69 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.426 ' C ' ' HE2' ' A' ' 577' ' ' LYS . 38.5 p -74.67 115.8 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.426 ' HE2' ' C ' ' A' ' 576' ' ' SER . 8.0 mmpt? -96.08 30.53 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.473 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.426 ' NE ' ' HE1' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' MET . . . . . 0.426 ' HE1' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.528 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.632 HD13 ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.041 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 591' ' ' GLU . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.76 100.13 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.56 117.39 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.41 -44.04 75.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -156.44 140.79 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 16.5 t -73.67 116.61 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.39 124.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 45.8 m -155.94 114.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 92.9 p -151.82 131.26 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.7 t -120.96 131.21 54.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.0 t -88.81 -52.77 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -142.21 90.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 25.6 p -69.4 77.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.8 m -43.23 -53.18 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 57.78 115.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.601 HG22 HD13 ' A' ' 611' ' ' ILE . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 607' ' ' ILE . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.579 HD23 HG21 ' A' ' 607' ' ' ILE . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 550' ' ' THR . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 548' ' ' ASP . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.529 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.529 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 540' ' ' ILE . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -39.93 103.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.9 mtp -92.79 167.03 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -167.18 118.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.2 t30 71.09 27.96 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.31 -17.29 13.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -104.33 156.75 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 74.4 m -83.69 141.22 31.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -101.9 26.01 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 562' ' ' GLY . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.89 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.69 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.69 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 540' ' ' ILE . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.84 63.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -48.78 119.21 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -38.7 155.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -66.14 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.0 m -155.72 155.93 33.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -146.45 77.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.23 57.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.8 t -88.75 128.8 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.6 t -115.79 -57.13 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 68.6 m -100.69 151.11 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 12.6 t -79.3 -45.81 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 170.06 149.23 6.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 16.0 t -67.55 143.16 56.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 46.9 m -141.0 151.79 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -121.44 132.63 9.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.965 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.431 ' O ' HG22 ' A' ' 607' ' ' ILE . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.688 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 564' ' ' VAL . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' TYR . . . . . 0.536 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -39.32 108.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' A' ' 575' ' ' LYS . 29.2 mtp -96.94 141.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 29.1 tt0 -108.83 94.61 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 61.97 40.58 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 78.38 36.49 30.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' LYS . . . . . 0.511 ' N ' ' HE2' ' A' ' 571' ' ' MET . 29.9 mtpt -139.79 145.45 38.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 2.2 p -87.76 98.18 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.417 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 1.0 OUTLIER -89.57 33.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.731 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.575 ' CG ' HD11 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.688 HD13 ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.575 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.965 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.766 HD13 HG22 ' A' ' 540' ' ' ILE . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.11 103.94 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 157.18 18.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.52 37.05 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.3 132.05 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 24.9 m -102.64 88.48 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -177.85 141.42 5.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.74 69.46 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 53.3 p -55.68 155.66 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.0 t -104.43 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.0 t -48.08 -54.15 14.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 8.3 t -97.46 -49.5 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.33 -132.95 10.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 84.2 p -51.21 113.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.864 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 70.5 m -91.93 98.25 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -70.39 124.41 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 1.023 HD12 ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 609' ' ' VAL . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.635 ' O ' HG22 ' A' ' 607' ' ' ILE . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.64 HD23 HG21 ' A' ' 607' ' ' ILE . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 567' ' ' ALA . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.748 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.681 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER -38.77 135.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.1 mtp -124.96 153.03 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -160.46 135.02 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 60.93 26.19 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.51 -14.1 42.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 149.93 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 59.9 p -71.15 154.09 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.72 33.65 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 538' ' ' SER . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.684 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.748 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 602' ' ' LEU . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 600' ' ' MET . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.64 HG21 HD23 ' A' ' 545' ' ' LEU . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 1.023 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.684 HD11 ' CA ' ' A' ' 591' ' ' GLU . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.58 110.68 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.92 80.52 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -40.75 -48.13 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.01 169.13 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.6 p -95.36 95.22 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -151.03 155.62 26.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -43.92 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 78.3 p 37.33 42.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 16.6 t -71.42 126.62 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 92.4 p -93.09 42.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 9.3 m 58.83 40.51 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 134.11 93.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.7 t -129.96 41.58 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 31.9 m -62.13 89.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.05 125.42 24.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.864 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 607' ' ' ILE . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.692 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -51.05 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 40.0 mtp -83.55 160.0 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -162.54 122.42 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 72.57 28.85 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 82.48 -21.15 7.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 153.38 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 83.9 p -81.92 133.98 35.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -86.03 18.53 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.828 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.428 ' HD3' ' HE1' ' A' ' 596' ' ' MET . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' MET . . . . . 0.428 ' HE1' ' HD3' ' A' ' 592' ' ' ARG . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.468 ' HE3' ' SD ' ' A' ' 600' ' ' MET . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.645 ' CG ' HD11 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.864 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.9 106.49 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.13 106.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -84.82 86.05 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 55.7 45.6 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 5.0 t -121.74 132.06 54.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.7 86.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.79 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.727 2.284 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 10.7 m -69.8 120.65 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.1 t -94.25 134.83 36.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 13.2 p -126.67 -30.55 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 86.6 p -61.59 -39.78 92.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 76.84 -100.25 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.0 t -139.57 156.3 46.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.9 t -113.64 36.9 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -38.66 127.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.869 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.435 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.535 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -64.26 102.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 93.7 mtp -93.66 -176.4 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -173.0 139.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.5 m120 55.25 28.59 11.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.08 22.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -107.68 148.32 29.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.2 m -78.64 131.56 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -93.73 30.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.535 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 607' ' ' ILE . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.638 HD21 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.655 HD11 ' HE3' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ASP . . . . . 0.435 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.869 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 591' ' ' GLU . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.24 78.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.24 -49.67 68.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.7 140.27 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.15 81.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 1.7 t -42.23 -55.36 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 159.72 84.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.12 22.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 63.1 m -40.13 103.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 6.5 t -148.67 177.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.0 t -124.4 99.37 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 137.69 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 152.44 -121.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -62.83 90.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 t -85.61 143.37 28.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -108.58 136.79 13.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 611' ' ' ILE . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 545' ' ' LEU . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 607' ' ' ILE . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 542' ' ' VAL . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.531 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.671 HD21 ' O ' ' A' ' 581' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.695 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 585' ' ' GLU . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -53.52 104.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -91.57 163.5 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 30.7 tt0 -146.15 107.88 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.8 t30 73.63 25.26 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 90.39 -18.03 51.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -101.05 149.27 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 89.4 p -83.12 118.74 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 10.2 mmmm -92.66 30.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.671 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.433 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.428 ' N ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 565' ' ' LEU . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.735 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.627 ' HE2' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 549' ' ' PHE . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.627 HD11 ' HE2' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.691 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.735 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.45 58.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.28 137.21 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.91 103.12 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -138.01 110.98 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 17.1 t 64.78 32.17 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -63.98 -150.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.92 67.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 60.2 p -43.22 131.15 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 84.7 p -145.01 109.28 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 534' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 535' ' ' SER . 2.5 m -82.34 41.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 534' ' ' SER . 16.8 m 34.54 40.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.23 71.24 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 104.83 13.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 1.2 p -121.1 -48.23 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 49.89 100.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.939 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.518 HG13 HG22 ' A' ' 609' ' ' VAL . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.62 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.438 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 550' ' ' THR . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 548' ' ' ASP . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.476 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.476 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.643 ' HE2' HD11 ' A' ' 540' ' ' ILE . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -71.62 66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' MET . . . . . 0.497 ' CB ' ' HA ' ' A' ' 576' ' ' SER . 1.9 ptp -85.61 171.66 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -153.44 145.85 24.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.02 31.87 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.5 -16.36 10.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' LYS . . . . . 0.431 ' HE2' ' NZ ' ' A' ' 577' ' ' LYS . 17.3 ptmt -107.96 131.89 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.497 ' HA ' ' CB ' ' A' ' 571' ' ' MET . 48.4 t -61.35 161.49 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.431 ' NZ ' ' HE2' ' A' ' 575' ' ' LYS . 9.0 mmpt? -125.28 20.75 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.84 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.72 ' CE ' HD21 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.72 HD21 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' HE3' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.939 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.03 66.29 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -38.65 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -92.24 -58.51 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -78.39 84.46 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.9 t -114.61 96.53 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -93.69 -171.12 39.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 35.3 t -41.36 -47.08 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.2 t -139.12 150.22 45.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.7 t -126.78 84.66 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 38.5 t -112.14 116.19 30.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 174.63 -159.42 28.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' SER . . . . . 0.45 ' HA ' HG21 ' A' ' 611' ' ' ILE . 3.1 t 53.33 46.24 26.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 539' ' ' GLY . 40.2 m -153.58 177.01 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 538' ' ' SER . . . 34.2 91.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.994 HG22 HD13 ' A' ' 611' ' ' ILE . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.52 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.52 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.525 ' HA ' HG11 ' A' ' 564' ' ' VAL . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 555' ' ' LYS . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.01 96.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 25.0 mtp -91.06 146.95 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.5 87.87 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 61.46 38.49 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 85.02 20.17 58.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -129.96 83.21 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 1.9 t -45.17 120.26 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER -96.27 18.94 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.738 HG13 HH21 ' A' ' 592' ' ' ARG . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.493 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ARG . . . . . 0.738 HH21 HG13 ' A' ' 589' ' ' VAL . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.492 ' CB ' HG21 ' A' ' 609' ' ' VAL . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.666 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.666 HD21 ' HE3' ' A' ' 600' ' ' MET . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.616 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.994 HD13 HG22 ' A' ' 540' ' ' ILE . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.15 61.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -66.04 -29.63 70.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.34 161.63 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -84.69 141.38 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 94.3 p -45.89 115.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.54 -100.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 100.83 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.289 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 17.7 t -113.27 -33.48 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 64.5 p -64.91 133.08 51.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.5 m -72.26 99.84 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.8 t -161.37 150.57 16.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 85.04 165.47 40.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 17.4 m -52.61 173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 95.0 p -143.11 116.35 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -104.31 125.62 8.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.961 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 564' ' ' VAL . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 555' ' ' LYS . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -61.77 120.1 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.67 163.27 12.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 33.2 tt0 -153.27 114.61 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 73.68 27.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.53 -11.2 46.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 140.44 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 9.7 t -69.13 138.98 54.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 1.3 mmmp? -109.32 24.77 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.405 HG12 ' CE1' ' A' ' 584' ' ' PHE . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.488 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 549' ' ' PHE . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.961 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 540' ' ' ILE . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 87.03 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -81.01 119.87 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ASN . . . . . 0.456 ' O ' ' HB3' ' A' ' 615' ' ' ALA . 32.2 m-20 -79.13 136.62 37.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 614' ' ' ASN . . . 69.04 37.69 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 p -60.7 122.42 14.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -157.18 120.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.2 t -137.75 152.86 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 1.5 t -48.96 -59.82 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 32.4 t -73.37 162.9 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 18.4 m -67.5 165.48 16.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.38 -149.34 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m 60.94 36.11 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 50.2 m -51.26 127.84 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -128.52 127.07 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.825 HD12 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.509 ' N ' HG12 ' A' ' 542' ' ' VAL . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 546' ' ' PRO . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.515 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 581' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.574 ' O ' HG21 ' A' ' 564' ' ' VAL . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.665 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 555' ' ' LYS . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 585' ' ' GLU . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -48.81 112.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 80.8 mtp -95.46 162.86 13.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.15 124.14 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.6 m120 60.18 29.55 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.42 -18.9 30.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -110.45 143.96 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.6 t -73.78 154.05 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.59 17.49 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.44 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.422 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' A' ' 565' ' ' LEU . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.66 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.655 ' HG3' HD11 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.663 HG21 HD23 ' A' ' 545' ' ' LEU . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.825 ' CG1' HD12 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.66 HD11 ' CA ' ' A' ' 591' ' ' GLU . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.07 -23.14 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 58.92 27.96 16.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -86.74 103.32 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -98.93 148.09 24.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.8 p -85.04 54.44 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -159.33 94.92 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -46.05 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 26.9 t -99.53 132.87 44.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 78.2 p -91.48 163.02 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 94.6 p -74.79 -24.26 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.0 t -75.94 -48.27 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 94.83 173.68 37.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 t -80.9 105.06 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.81 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.2 p -98.12 117.52 32.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -125.58 125.42 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.751 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 607' ' ' ILE . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 607' ' ' ILE . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 550' ' ' THR . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 548' ' ' ASP . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' PHE . . . . . 0.668 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' HIS . . . . . 0.419 ' CE1' HD23 ' A' ' 565' ' ' LEU . 7.2 t-80 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' A' ' 563' ' ' HIS . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -43.07 121.24 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 57.1 mtp -104.89 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -174.92 119.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.08 28.64 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.11 -20.48 20.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 165.7 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 71.0 p -93.41 138.36 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -101.28 25.57 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.435 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 584' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.786 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' MET . . . . . 0.498 ' CB ' HG21 ' A' ' 609' ' ' VAL . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' MET . . . . . 0.601 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 549' ' ' PHE . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 543' ' ' ARG . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.751 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.786 HD11 ' CA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.79 52.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -47.83 141.46 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -143.43 130.83 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -81.96 96.99 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 47.0 t -50.42 -42.64 54.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -173.17 -157.72 15.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.33 35.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 47.2 t -42.7 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 76.6 p -173.15 175.21 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.923 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 609' ' ' VAL . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 607' ' ' ILE . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 582' ' ' VAL . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 564' ' ' VAL . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 600' ' ' MET . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.542 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.923 ' CG1' HD12 ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 609' ' ' VAL . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 607' ' ' ILE . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.585 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.585 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.433 ' SG ' HG12 ' A' ' 609' ' ' VAL . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . 0.423 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.532 ' CG ' HD11 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 549' ' ' PHE . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.532 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.921 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 543' ' ' ARG . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' A' ' 582' ' ' VAL . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.402 HG22 ' HG ' ' A' ' 554' ' ' LEU . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.892 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.577 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 600' ' ' MET . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.577 HD11 ' CG ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.921 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.837 HG22 HD13 ' A' ' 611' ' ' ILE . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.631 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.523 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.493 HD22 HD13 ' A' ' 569' ' ' ILE . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 564' ' ' VAL . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.473 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 555' ' ' LYS . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 554' ' ' LEU . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 581' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.68 HG22 ' HE2' ' A' ' 570' ' ' LYS . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.414 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.547 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.457 ' NE ' ' HE2' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . 0.457 ' HE2' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.484 ' HE1' ' HA ' ' A' ' 558' ' ' PHE . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.597 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 549' ' ' PHE . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.631 HG21 HD23 ' A' ' 545' ' ' LEU . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 540' ' ' ILE . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . 0.433 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.928 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.501 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 607' ' ' ILE . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.446 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.542 ' HA ' HG11 ' A' ' 564' ' ' VAL . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 555' ' ' LYS . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.433 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.471 ' CB ' HG21 ' A' ' 609' ' ' VAL . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.561 ' CE ' HD11 ' A' ' 607' ' ' ILE . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 600' ' ' MET . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.561 HD11 ' CE ' ' A' ' 600' ' ' MET . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.928 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.661 HD11 ' CA ' ' A' ' 591' ' ' GLU . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.871 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 609' ' ' VAL . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 607' ' ' ILE . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.577 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.577 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.563 ' HD2' ' HE1' ' A' ' 597' ' ' MET . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.657 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' A' ' 562' ' ' GLY . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.721 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.563 ' HE1' ' HD2' ' A' ' 557' ' ' LYS . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.665 ' CG ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.589 HD21 ' HE3' ' A' ' 600' ' ' MET . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.665 HD11 ' CG ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.871 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.721 HD11 ' CA ' ' A' ' 591' ' ' GLU . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 1.022 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 609' ' ' VAL . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 607' ' ' ILE . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 607' ' ' ILE . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 581' ' ' VAL . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.65 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.408 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.59 ' O ' HD21 ' A' ' 554' ' ' LEU . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 584' ' ' PHE . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.688 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.413 ' HD3' ' HE2' ' A' ' 596' ' ' MET . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . 0.413 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.65 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.636 ' CE ' HD21 ' A' ' 602' ' ' LEU . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.636 HD21 ' CE ' ' A' ' 600' ' ' MET . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 543' ' ' ARG . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.022 ' CG1' HD12 ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.715 HD13 HG22 ' A' ' 540' ' ' ILE . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.904 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.63 ' O ' HG22 ' A' ' 607' ' ' ILE . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 607' ' ' ILE . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 550' ' ' THR . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 548' ' ' ASP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.471 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.637 HG13 HH21 ' A' ' 592' ' ' ARG . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.695 ' CA ' HD11 ' A' ' 611' ' ' ILE . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.637 HH21 HG13 ' A' ' 589' ' ' VAL . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.57 ' CG ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 549' ' ' PHE . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 543' ' ' ARG . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.904 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.695 HD11 ' CA ' ' A' ' 591' ' ' GLU . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 1.041 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 545' ' ' LEU . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 607' ' ' ILE . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.694 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.694 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.424 ' HA ' HG11 ' A' ' 564' ' ' VAL . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.688 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 555' ' ' LYS . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.773 0.32 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.473 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.426 ' NE ' ' HE1' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . 0.426 ' HE1' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.528 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.632 HD13 ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.041 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 591' ' ' GLU . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.601 HG22 HD13 ' A' ' 611' ' ' ILE . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 607' ' ' ILE . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.579 HD23 HG21 ' A' ' 607' ' ' ILE . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 550' ' ' THR . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 548' ' ' ASP . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.529 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.529 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 540' ' ' ILE . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.828 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 562' ' ' GLY . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.89 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.69 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.69 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 540' ' ' ILE . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.965 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.431 ' O ' HG22 ' A' ' 607' ' ' ILE . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.688 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 564' ' ' VAL . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . 0.536 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 578' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.731 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.575 ' CG ' HD11 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.688 HD13 ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.575 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.965 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.766 HD13 HG22 ' A' ' 540' ' ' ILE . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 1.023 HD12 ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 609' ' ' VAL . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.635 ' O ' HG22 ' A' ' 607' ' ' ILE . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.64 HD23 HG21 ' A' ' 607' ' ' ILE . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 567' ' ' ALA . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.748 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.681 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.684 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.748 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 602' ' ' LEU . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 600' ' ' MET . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.64 HG21 HD23 ' A' ' 545' ' ' LEU . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 1.023 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.684 HD11 ' CA ' ' A' ' 591' ' ' GLU . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.864 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 607' ' ' ILE . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.692 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.807 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.828 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.428 ' HD3' ' HE1' ' A' ' 596' ' ' MET . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . 0.428 ' HE1' ' HD3' ' A' ' 592' ' ' ARG . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.468 ' HE3' ' SD ' ' A' ' 600' ' ' MET . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.645 ' CG ' HD11 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.864 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.869 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.435 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.535 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.535 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 607' ' ' ILE . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.638 HD21 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.655 HD11 ' HE3' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . 0.435 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.869 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 591' ' ' GLU . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 611' ' ' ILE . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 545' ' ' LEU . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 607' ' ' ILE . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 542' ' ' VAL . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.531 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.671 HD21 ' O ' ' A' ' 581' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.695 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 585' ' ' GLU . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.671 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.433 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.428 ' HE2' ' N ' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 565' ' ' LEU . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.735 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.627 ' HE2' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 549' ' ' PHE . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.627 HD11 ' HE2' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.691 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.735 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.939 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.518 HG13 HG22 ' A' ' 609' ' ' VAL . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.62 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.438 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 550' ' ' THR . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 548' ' ' ASP . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.476 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.643 ' HE2' HD11 ' A' ' 540' ' ' ILE . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.84 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.72 ' CE ' HD21 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.72 HD21 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' HE3' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.939 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.994 HG22 HD13 ' A' ' 611' ' ' ILE . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.52 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.52 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.525 ' HA ' HG11 ' A' ' 564' ' ' VAL . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 555' ' ' LYS . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.738 HG13 HH21 ' A' ' 592' ' ' ARG . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.493 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . 0.738 HH21 HG13 ' A' ' 589' ' ' VAL . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.492 ' CB ' HG21 ' A' ' 609' ' ' VAL . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.666 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.666 HD21 ' HE3' ' A' ' 600' ' ' MET . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.616 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.994 HD13 HG22 ' A' ' 540' ' ' ILE . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.961 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 564' ' ' VAL . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 555' ' ' LYS . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.405 HG12 ' CE1' ' A' ' 584' ' ' PHE . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.488 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 549' ' ' PHE . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.961 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 540' ' ' ILE . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.825 HD12 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.509 ' N ' HG12 ' A' ' 542' ' ' VAL . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.435 ' C ' HD22 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 546' ' ' PRO . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.515 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 581' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . 0.574 ' O ' HG21 ' A' ' 564' ' ' VAL . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.665 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 555' ' ' LYS . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 585' ' ' GLU . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.44 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.422 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' A' ' 565' ' ' LEU . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.66 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.655 ' HG3' HD11 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.663 HG21 HD23 ' A' ' 545' ' ' LEU . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.825 ' CG1' HD12 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.66 HD11 ' CA ' ' A' ' 591' ' ' GLU . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.751 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 607' ' ' ILE . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' ASN . . . . . 0.441 ' C ' HD22 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 607' ' ' ILE . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 550' ' ' THR . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 548' ' ' ASP . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' PHE . . . . . 0.668 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 563' ' ' HIS . 5.7 t60 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.435 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.786 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' MET . . . . . 0.498 ' CB ' HG21 ' A' ' 609' ' ' VAL . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' MET . . . . . 0.601 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 549' ' ' PHE . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 543' ' ' ARG . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.751 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.786 HD11 ' CA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.2 t 67.22 41.15 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 37.7 t -109.61 -59.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 173.03 45.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 78.9 p -54.69 161.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 7.3 m -135.9 136.89 40.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -110.44 140.11 15.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.923 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.4 pt -92.62 -175.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.8 t80 -143.63 147.64 34.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 609' ' ' VAL . 13.6 t -131.95 152.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 607' ' ' ILE . 8.1 mtp-105 -144.31 157.59 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 73.89 39.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -91.71 144.29 29.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.0 Cg_endo -69.75 134.83 28.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.06 -63.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 547' ' ' PHE . 11.0 t70 -34.72 -46.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -39.42 107.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 2.0 p -102.71 152.37 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 57.1 p-90 -38.24 -46.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 0.5 OUTLIER -49.34 -51.23 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 93.0 mtp -55.83 -58.64 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 25.5 tp -39.27 -42.0 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -74.39 -68.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 559' ' ' ASN . 0.7 OUTLIER -48.21 -62.68 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -40.48 -47.14 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.678 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.2 m-85 -77.04 -25.72 52.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.4 t-20 -49.94 -22.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.58 -50.19 74.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.1 t -62.44 -52.68 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -158.33 -157.98 8.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -89.14 116.76 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 582' ' ' VAL . 92.7 t -85.21 126.93 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 58.0 mt -96.62 -40.49 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -131.2 152.01 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -167.33 109.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -140.43 155.23 46.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.63 97.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -47.01 126.85 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 84.6 mtp -109.91 153.24 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -137.9 130.47 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 55.66 25.92 8.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.89 -12.81 60.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -110.42 137.03 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 23.1 m -65.42 154.49 38.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 578' ' ' GLY . 0.0 OUTLIER -129.09 42.37 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.2 52.22 1.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.55 147.35 33.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -171.44 -177.69 41.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -133.81 161.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.43 HG13 HG13 ' A' ' 564' ' ' VAL . 97.3 t -148.09 129.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.26 147.42 33.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 88.9 m-85 -122.53 174.95 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.79 -43.91 34.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -109.0 155.06 41.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -33.73 15.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.08 -37.81 88.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -35.6 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -58.21 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -60.82 -45.66 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.68 -30.45 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 54.6 m -67.27 -20.35 65.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -92.33 -37.24 12.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.1 mtm -83.63 -53.72 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 24.7 mmm -60.98 -60.83 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.2 t-20 -44.95 116.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.15 26.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.1 ptt? -98.07 118.97 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -83.87 104.56 14.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 600' ' ' MET . 16.2 mt -80.83 97.85 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 2.0 t 67.3 27.09 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.1 21.37 25.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.85 114.07 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.6 tt0 -76.63 144.52 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.542 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.6 pt -128.72 154.32 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.56 97.81 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.923 ' CG1' HD12 ' A' ' 540' ' ' ILE . 21.5 t -96.11 115.22 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.56 171.69 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.8 mm -76.43 129.86 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.81 98.58 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 614' ' ' ASN . 16.8 mmt180 -76.88 162.12 27.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 613' ' ' ARG . 40.7 m-20 36.42 49.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -68.54 -50.55 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 23.0 p -118.29 169.66 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 121.26 84.41 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.94 19.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 33.1 t -120.13 105.19 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 98.2 p -106.17 83.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.6 t -100.54 150.72 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 61.2 m -99.99 43.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 72.68 -85.04 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 67.9 m -157.72 118.2 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.9 p -79.87 125.78 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -98.05 129.87 10.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.917 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.3 pt -83.49 -177.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.475 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.8 t80 -139.67 148.33 42.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 609' ' ' VAL . 20.9 t -133.66 144.19 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 607' ' ' ILE . 41.3 mtp85 -137.56 159.38 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.86 36.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.8 mt -86.9 140.65 33.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.557 0.694 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.43 21.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 548' ' ' ASP . 30.5 m-85 -39.28 -60.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 547' ' ' PHE . 12.2 t70 -35.22 -38.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -51.47 138.4 22.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 34.4 p -130.96 154.47 48.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.585 ' CZ2' ' HG2' ' A' ' 552' ' ' LYS . 62.2 p-90 -39.68 -46.42 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.585 ' HG2' ' CZ2' ' A' ' 551' ' ' TRP . 28.0 mmtt -47.61 -46.45 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 549' ' ' PHE . 92.0 mtp -61.52 -61.01 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 16.0 tp -36.54 -36.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 559' ' ' ASN . 30.9 tttt -80.54 -72.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -47.7 -57.78 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -45.21 -47.39 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.7 m-85 -79.27 -19.08 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 555' ' ' LYS . 7.1 t-20 -53.72 -16.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.77 -46.6 71.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 9.5 m -62.7 -53.57 52.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.39 -152.97 6.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -94.84 102.81 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.79 129.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 67.8 mt -102.43 -42.51 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -131.3 144.54 51.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -162.04 113.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -142.46 146.76 35.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.9 mm -96.07 97.0 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -48.14 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.4 mmm -86.35 168.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 572' ' ' GLU . 0.7 OUTLIER -172.54 148.83 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . 0.406 ' CB ' ' OE1' ' A' ' 572' ' ' GLU . 14.5 t-20 55.18 29.85 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 73.59 -3.71 32.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -122.8 168.92 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 28.9 t -89.5 131.7 35.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 578' ' ' GLY . 18.0 mmmt -99.01 34.48 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 34.43 60.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 31.9 p -160.96 146.3 14.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.88 -168.48 29.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.475 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -140.51 159.43 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 74.5 t -144.46 135.99 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -114.06 153.87 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 589' ' ' VAL . 97.8 m-85 -130.3 169.06 15.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.62 -43.83 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -107.89 154.06 41.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.33 -35.79 78.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 584' ' ' PHE . 71.7 t -70.57 -22.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -69.98 -58.89 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.813 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.7 pt-20 -69.23 -30.69 68.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 593' ' ' ALA . 0.3 OUTLIER -62.01 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' A' ' 592' ' ' ARG . . . -59.9 -31.51 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.433 ' SG ' HG12 ' A' ' 609' ' ' VAL . 11.8 m -68.19 -18.25 64.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.11 -38.32 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . 0.423 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 32.1 mtm -79.21 -51.89 8.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.0 mmm -64.48 -66.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 597' ' ' MET . 53.6 t-20 -36.79 125.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 104.07 5.4 43.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.532 ' CG ' HD11 ' A' ' 607' ' ' ILE . 12.8 ptt? -99.85 116.92 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -79.79 104.54 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 549' ' ' PHE . 11.8 mt -76.81 96.04 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.61 28.21 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.76 25.73 12.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -131.37 111.39 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.735 0.302 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.4 tt0 -72.88 140.47 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.532 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.6 pt -126.6 155.01 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.93 97.73 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.917 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.6 t -93.17 116.27 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.429 ' C ' ' SG ' ' A' ' 594' ' ' CYS . 14.9 mmt180 -129.46 174.84 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' A' ' 591' ' ' GLU . 17.6 mm -84.03 124.46 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.36 88.55 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -78.28 97.86 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -73.76 105.96 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -168.76 141.36 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -135.67 121.83 20.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -54.3 -172.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 98.06 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 59.7 p -95.8 130.27 42.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 21.7 m -71.02 -49.81 40.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 534' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 533' ' ' GLY . 88.8 p -35.87 152.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 56.8 p -100.03 89.05 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -140.79 -140.05 3.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.4 p -124.85 100.7 6.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 26.2 t -104.27 77.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.99 124.02 19.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.921 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.1 pt -75.45 -176.44 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -144.57 135.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 9.6 t -117.38 150.39 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 543' ' ' ARG . 8.9 mtp-105 -141.43 154.26 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 74.8 36.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.15 141.26 30.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.3 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 549' ' ' PHE . 37.2 m-85 -50.14 -56.35 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -41.13 -24.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 12.8 p -109.02 155.36 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 54.5 p-90 -38.75 -44.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 26.1 mmtt -47.79 -46.69 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 557' ' ' LYS . 42.8 mmm -62.24 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.402 ' HG ' HG22 ' A' ' 582' ' ' VAL . 21.1 tp -37.6 -43.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -74.07 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.1 t70 -59.69 -64.48 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 553' ' ' MET . 9.6 tppt? -37.18 -43.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.1 m-85 -82.13 -31.25 30.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.8 t-20 -46.34 -23.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.09 -47.0 88.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 33.4 t -57.35 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.56 -134.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -109.85 107.66 17.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.66 131.96 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 34.0 mt -101.81 -39.43 7.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -135.98 141.53 44.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.46 109.63 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -135.71 148.71 48.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.4 mm -102.14 105.63 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.49 107.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 97.9 mtp -96.81 -179.87 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.406 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 24.4 tt0 -174.15 119.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.16 29.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.72 -21.29 6.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . 0.413 ' HE3' ' CD ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER -107.12 154.59 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 48.4 t -76.62 149.78 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.413 ' CD ' ' HE3' ' A' ' 575' ' ' LYS . 23.9 mmmt -110.62 18.31 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 59.25 54.92 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.0 p -162.46 149.37 13.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.34 178.92 36.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.95 147.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.402 HG22 ' HG ' ' A' ' 554' ' ' LEU . 99.9 t -138.8 136.55 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -117.61 150.29 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -125.4 173.77 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -75.35 -46.64 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.0 m -110.28 156.47 40.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.58 12.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.81 -34.67 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 60.6 t -74.9 -31.18 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -62.2 -50.54 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.892 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.8 pt-20 -73.68 -27.04 61.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -60.67 -46.26 91.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.01 -28.97 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 83.0 m -66.35 -22.11 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -91.98 -40.27 11.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 28.7 mtm -78.05 -53.39 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 57.0 mmm -61.3 -62.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 60.2 t-20 -42.08 132.22 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 91.31 10.67 61.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.577 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.6 ptt? -99.13 111.22 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -75.79 105.26 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 600' ' ' MET . 14.0 mt -82.88 102.25 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 61.96 27.19 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.54 27.66 11.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -132.39 114.65 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.1 tt0 -75.31 142.14 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.577 HD11 ' CG ' ' A' ' 600' ' ' MET . 12.1 pt -132.13 155.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.55 118.76 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.921 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.9 t -110.2 132.88 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 8.1 mmm180 -147.85 156.35 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 591' ' ' GLU . 22.0 mm -68.44 118.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.23 39.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.587 ' H ' HG22 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -66.96 164.21 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.03 -54.76 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -44.19 99.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 29.8 t -155.95 161.85 40.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.31 150.7 5.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.56 26.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 79.3 p -105.78 143.1 34.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 44.2 t -174.79 144.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 8.2 t -135.69 134.55 39.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 23.0 t -72.37 -48.73 39.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.79 140.41 7.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 39.6 t -128.6 144.63 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 70.8 m -106.39 -43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . 66.1 130.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.837 HG22 HD13 ' A' ' 611' ' ' ILE . 18.3 pt -104.33 -174.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -141.82 148.78 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 5.6 t -130.76 156.85 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -152.11 155.78 38.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 73.49 29.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.631 HD23 HG21 ' A' ' 607' ' ' ILE . 35.6 mt -84.54 142.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 134.75 28.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 548' ' ' ASP . 21.4 m-85 -41.23 -62.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 547' ' ' PHE . 23.4 m-20 -34.22 -42.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.3 t80 -44.38 108.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 9.9 p -97.97 150.77 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.523 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 57.9 p-90 -36.76 -48.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 49.8 mttt -47.02 -53.98 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 56.5 mmm -52.05 -56.84 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.493 HD22 HD13 ' A' ' 569' ' ' ILE . 14.5 tp -46.38 -33.96 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 564' ' ' VAL . 11.7 ttmt -79.37 -57.59 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 559' ' ' ASN . 45.6 m-20 -61.73 -65.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.473 ' HG3' ' CE ' ' A' ' 597' ' ' MET . 2.8 tppt? -38.18 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.8 m-85 -78.44 -31.21 47.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 556' ' ' ASP . 5.5 t-20 -43.19 -26.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.31 -51.89 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.26 -47.13 86.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -165.97 -151.07 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -93.02 117.11 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 555' ' ' LYS . 51.6 t -82.6 113.61 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.61 -49.63 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 568' ' ' ASP . 83.7 t80 -130.05 143.62 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.55 109.27 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 566' ' ' TYR . 27.4 t70 -131.75 133.59 44.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.493 HD13 HD22 ' A' ' 554' ' ' LEU . 28.4 mm -86.55 104.39 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . 0.68 ' HE2' HG22 ' A' ' 581' ' ' VAL . 0.2 OUTLIER -56.72 105.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 56.8 mtp -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 36.9 tt0 -173.72 129.16 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 65.21 27.03 12.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.54 -22.35 13.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 158.92 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 10.3 t -79.68 145.85 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 23.2 mmmt -104.92 16.7 25.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.05 54.39 35.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 3.1 p -163.59 159.78 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 176.08 -161.47 29.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.68 HG22 ' HE2' ' A' ' 570' ' ' LYS . 2.4 m -141.1 155.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 111.107 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 55.4 t -144.18 115.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.414 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -90.6 151.6 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -128.16 165.87 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.96 -40.04 68.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.6 m -115.63 154.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.31 6.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.55 -32.66 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.48 -33.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.547 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -64.81 -49.38 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.77 ' HA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -73.2 -25.2 60.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.457 ' NE ' ' HE2' ' A' ' 596' ' ' MET . 43.5 ttt180 -69.1 -40.25 78.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 72.2 m -64.79 -21.99 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -93.08 -41.16 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . 0.457 ' HE2' ' NE ' ' A' ' 592' ' ' ARG . 8.2 mtm -78.84 -52.96 7.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.484 ' HE1' ' HA ' ' A' ' 558' ' ' PHE . 32.9 mmm -60.99 -59.49 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 45.0 t-20 -49.57 125.52 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 103.61 6.14 44.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.597 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.2 ptt? -99.84 111.59 23.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -77.08 104.0 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 549' ' ' PHE . 13.1 mt -82.52 105.38 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 60.95 25.38 15.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.36 30.57 8.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -135.09 115.66 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.7 tt0 -77.03 138.82 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.631 HG21 HD23 ' A' ' 545' ' ' LEU . 3.7 pt -124.8 154.53 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -116.77 102.21 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.831 ' CG1' HD12 ' A' ' 540' ' ' ILE . 17.2 t -97.99 121.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -136.79 167.25 21.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 540' ' ' ILE . 20.6 mm -80.68 121.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.72 103.88 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -103.51 -175.24 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 617' ' ' GLY . 0.8 OUTLIER -84.76 177.81 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -104.15 -56.72 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.4 t -42.08 -61.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.445 ' H ' ' ND2' ' A' ' 614' ' ' ASN . . . 158.98 143.23 3.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 167.4 24.55 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 20.3 m -153.76 157.31 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 55.1 p -154.26 157.83 39.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 4.8 t -77.2 151.65 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.8 t -67.86 86.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -118.62 67.85 0.35 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 584' ' ' PHE . 30.6 m -80.07 168.34 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.4 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 49.7 p -93.67 100.53 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . 0.433 ' HA3' ' NZ ' ' A' ' 583' ' ' LYS . . . -81.71 140.67 21.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.928 HD12 ' CG1' ' A' ' 609' ' ' VAL . 15.7 pt -95.34 -176.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.501 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -144.95 139.03 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.7 t -122.0 160.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 607' ' ' ILE . 54.7 mtm-85 -152.23 163.12 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 67.24 36.2 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 22.9 mt -87.16 142.71 33.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 131.1 20.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 548' ' ' ASP . 32.4 m-85 -38.45 -61.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 547' ' ' PHE . 49.8 m-20 -34.47 -39.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -50.58 123.18 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 7.5 p -112.91 156.5 22.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 65.2 p-90 -42.96 -45.19 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 4.8 mtpm? -49.92 -47.19 52.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 92.4 mtp -58.79 -59.5 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.446 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 17.9 tp -38.71 -39.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.542 ' HA ' HG11 ' A' ' 564' ' ' VAL . 19.7 tttt -75.65 -69.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 4.7 t0 -49.7 -63.12 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -38.82 -49.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.686 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -76.02 -26.91 57.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 28.8 t-20 -52.1 -22.1 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.95 -37.36 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 85.6 m -73.3 -45.11 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.81 -143.2 3.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.557 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.04 104.82 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 555' ' ' LYS . 75.6 t -78.11 122.25 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.43 -40.12 9.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -137.48 141.08 41.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -154.11 120.85 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -151.02 143.82 24.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.5 mm -94.37 101.25 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -52.01 111.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . 0.408 ' HE1' ' O ' ' A' ' 574' ' ' GLY . 57.1 mtp -90.15 163.58 14.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -153.61 113.74 3.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 73.58 25.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.408 ' O ' ' HE1' ' A' ' 571' ' ' MET . . . 87.18 -18.17 38.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -107.84 158.78 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 47.9 m -83.83 144.61 29.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -111.67 21.77 15.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 56.08 43.5 88.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.8 p -139.76 157.86 45.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -178.84 -178.35 48.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -133.99 150.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.2 t -138.25 113.95 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.433 ' NZ ' ' HA3' ' A' ' 539' ' ' GLY . 0.0 OUTLIER -89.41 161.69 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 93.1 m-85 -138.33 164.99 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.68 -42.26 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -116.73 158.63 43.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.749 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.83 3.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.22 -37.47 69.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.62 -31.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -60.55 -53.38 58.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.3 pt-20 -73.82 -26.03 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.48 -48.12 82.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.42 -26.03 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 89.1 m -71.02 -20.07 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -93.32 -35.22 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 11.4 mtm -82.53 -49.5 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.471 ' CB ' HG21 ' A' ' 609' ' ' VAL . 5.8 mmm -68.23 -66.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 1.0 OUTLIER -35.84 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 123.46 9.13 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.561 ' CE ' HD11 ' A' ' 607' ' ' ILE . 12.7 ptt? -98.16 114.46 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -78.86 105.66 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 600' ' ' MET . 34.8 mt -82.57 94.2 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.5 t 69.31 27.27 5.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 96.92 15.46 39.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -119.13 113.34 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.2 138.33 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.561 HD11 ' CE ' ' A' ' 600' ' ' MET . 9.7 pt -129.29 153.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -115.63 111.99 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.928 ' CG1' HD12 ' A' ' 540' ' ' ILE . 20.6 t -103.71 114.78 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -130.61 162.02 30.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.661 HD11 ' CA ' ' A' ' 591' ' ' GLU . 13.4 mm -70.96 131.65 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -107.54 94.52 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.85 112.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -47.78 136.01 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -119.9 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 p -163.2 143.89 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 64.99 144.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.88 36.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 80.0 p -97.72 121.89 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 60.8 p -46.76 131.72 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 99.8 p -39.37 147.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 96.9 p -147.44 167.42 24.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 44.0 -135.49 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 60.9 m -121.36 132.68 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 68.4 m -58.88 -55.58 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 55.78 106.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.871 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.1 pt -79.39 -174.86 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.443 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -143.04 140.18 30.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 609' ' ' VAL . 2.8 t -125.66 150.16 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 607' ' ' ILE . 56.4 mtt180 -139.53 159.0 43.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 544' ' ' ASN . 0.1 OUTLIER 69.05 51.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.63 142.77 25.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.7 Cg_endo -69.76 137.05 34.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 549' ' ' PHE . 55.0 m-85 -45.12 -61.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 547' ' ' PHE . 0.6 OUTLIER -34.09 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.4 t80 -57.29 126.5 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 71.0 p -117.12 156.1 28.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.577 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -40.66 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.577 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 6.1 mtpm? -53.17 -46.32 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 55.8 mmm -57.77 -55.56 33.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.95 -43.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.9 tttt -71.97 -66.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.8 t0 -49.18 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.563 ' HD2' ' HE1' ' A' ' 597' ' ' MET . 11.2 tppt? -38.29 -54.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.657 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.6 m-85 -75.38 -20.65 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 556' ' ' ASP . 56.4 t30 -55.45 -23.71 26.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.61 -44.39 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 83.8 m -63.39 -53.51 51.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -157.02 175.41 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -65.39 121.44 14.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 38.1 t -93.41 137.3 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.65 -39.18 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -135.47 153.61 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.96 120.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -150.57 145.99 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 25.9 mm -99.03 106.26 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -54.52 106.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 68.9 mtp -91.38 165.6 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.99 115.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 69.88 28.97 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.72 -16.58 30.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.43 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -110.07 146.07 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 75.4 p -79.23 134.31 36.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -92.0 16.94 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.64 45.32 95.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.5 p -146.01 143.85 29.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -160.53 -171.83 26.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.8 m -138.89 148.36 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.05 128.17 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -106.07 156.07 18.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.4 m-85 -133.31 177.19 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -81.93 -39.03 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -114.9 154.52 46.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.715 0.769 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -33.69 16.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' A' ' 562' ' ' GLY . 39.4 t -69.35 -33.81 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -59.01 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.721 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -74.27 -27.69 60.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -58.88 -41.67 87.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.42 -17.06 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 81.5 m -75.95 -22.05 56.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -92.43 -37.05 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 16.7 mtm -77.46 -50.53 12.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.563 ' HE1' ' HD2' ' A' ' 557' ' ' LYS . 6.9 mmm -67.81 -67.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 39.1 t-20 -34.17 106.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 118.35 5.5 12.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.665 ' CG ' HD11 ' A' ' 607' ' ' ILE . 15.7 ptt? -99.58 120.17 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -87.16 105.22 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.589 HD21 ' HE3' ' A' ' 600' ' ' MET . 43.5 mt -80.42 106.69 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t 60.93 25.0 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.86 28.11 10.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 36.1 mtt85 -132.45 112.76 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.88 146.77 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.665 HD11 ' CG ' ' A' ' 600' ' ' MET . 1.7 pt -131.0 151.58 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.0 97.49 6.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.871 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.1 t -89.73 125.06 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 166.06 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.721 HD11 ' CA ' ' A' ' 591' ' ' GLU . 18.8 mm -81.62 123.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.67 48.95 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.499 ' H ' HG22 ' A' ' 611' ' ' ILE . 0.5 OUTLIER -80.06 155.19 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.27 87.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -61.65 106.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.5 m -165.51 144.12 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 105.08 -158.18 16.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 93.6 p -55.15 103.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 621' ' ' GLY . 44.1 t -71.18 101.79 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 620' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 38.1 t -39.81 -54.93 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.6 t -56.19 104.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -113.2 109.68 2.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 70.7 m -45.32 112.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 75.2 m -73.01 81.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -66.53 128.22 29.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 1.022 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.0 pt -82.65 -175.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.0 t80 -143.9 146.99 33.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 609' ' ' VAL . 4.9 t -133.61 144.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 607' ' ' ILE . 7.8 mtp-105 -136.23 159.31 42.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.55 38.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 607' ' ' ILE . 33.9 mt -91.7 143.72 28.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.7 36.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 549' ' ' PHE . 60.5 m-85 -46.0 -60.38 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 547' ' ' PHE . 25.3 t70 -35.54 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -58.29 112.42 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 551' ' ' TRP . 12.0 p -104.98 149.57 25.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 61.5 p-90 -35.03 -48.79 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 23.3 mttp -45.71 -51.47 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . . . . . . . . . 80.9 mtp -55.64 -56.52 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 581' ' ' VAL . 25.5 tp -40.95 -45.16 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 559' ' ' ASN . 29.3 tttt -70.15 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.7 m-20 -54.54 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.65 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -39.36 -46.94 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.684 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -81.01 -23.04 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 8.7 t-20 -57.71 -19.09 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.91 -42.01 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.0 m -71.34 -51.2 25.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.51 -174.5 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.22 120.88 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.74 129.94 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 76.2 mt -101.2 -39.67 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -134.08 144.52 48.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.408 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -161.17 118.89 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -151.68 144.21 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 26.4 mm -90.1 97.91 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -49.35 105.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . 0.431 ' HE2' ' C ' ' A' ' 575' ' ' LYS . 65.9 mtp -100.07 139.69 35.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -97.27 92.29 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.27 44.26 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.09 33.71 35.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . 0.431 ' C ' ' HE2' ' A' ' 571' ' ' MET . 6.6 mtpt -140.02 120.84 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 7.4 t -69.26 97.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 578' ' ' GLY . 13.1 mmmt -85.77 39.58 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 37.46 53.67 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.457 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.59 147.43 28.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.89 -177.35 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.59 ' O ' HD21 ' A' ' 554' ' ' LEU . 3.0 m -135.68 161.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -146.25 131.53 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -111.79 151.45 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 97.3 m-85 -128.84 173.08 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.89 -46.22 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.6 m -112.56 160.27 31.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.21 6.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -58.77 -42.66 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 584' ' ' PHE . 84.4 t -64.89 -35.02 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.39 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.688 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -65.78 -24.73 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.413 ' HD3' ' HE2' ' A' ' 596' ' ' MET . 18.3 ttm180 -65.16 -44.74 87.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.95 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 94.7 m -65.48 -53.81 37.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 595' ' ' ARG . 8.5 mtp-105 -59.95 -46.73 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . 0.413 ' HE2' ' HD3' ' A' ' 592' ' ' ARG . 17.0 mtm -64.7 -52.92 54.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.65 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.3 mmt -69.03 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.4 OUTLIER -33.91 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 129.85 3.83 4.87 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.636 ' CE ' HD21 ' A' ' 602' ' ' LEU . 23.2 ptt? -99.1 125.74 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -90.37 104.06 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.636 HD21 ' CE ' ' A' ' 600' ' ' MET . 44.7 mt -80.53 109.45 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 26.47 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.62 30.32 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -133.97 113.04 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -74.91 145.12 42.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 543' ' ' ARG . 1.8 pt -131.26 155.88 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.41 97.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.022 ' CG1' HD12 ' A' ' 540' ' ' ILE . 5.8 t -92.78 123.23 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.95 160.97 38.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.715 HD13 HG22 ' A' ' 540' ' ' ILE . 13.3 mm -74.29 115.76 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -84.53 45.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.473 ' H ' HG22 ' A' ' 611' ' ' ILE . 4.3 ppt_? -76.93 154.46 33.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -118.28 171.67 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -92.02 87.08 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 2.1 m -132.07 88.03 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -66.88 -176.88 8.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.0 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 68.0 m -148.13 177.31 9.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.2 t -98.75 95.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 t -110.59 98.66 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 20.3 m -60.24 -57.19 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 96.09 58.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 73.8 m -143.57 125.76 15.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 94.2 p -119.79 126.57 51.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -131.93 138.57 10.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.904 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.7 pt -92.5 162.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.538 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.1 t80 -125.82 138.93 53.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.5 t -123.65 149.2 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.63 ' O ' HG22 ' A' ' 607' ' ' ILE . 38.7 mtp180 -139.98 162.93 34.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.2 t30 68.87 36.53 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 607' ' ' ILE . 35.3 mt -87.36 141.56 32.64 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.2 Cg_endo -69.75 131.52 21.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.3 m-85 -34.47 -63.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 550' ' ' THR . 0.9 OUTLIER -34.33 -42.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -45.98 103.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 548' ' ' ASP . 35.9 p -102.33 153.84 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 58.1 p-90 -37.74 -45.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 41.6 mttm -48.64 -46.26 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 557' ' ' LYS . 53.6 mmm -62.16 -59.87 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -40.44 -44.94 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -72.46 -56.31 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 559' ' ' ASN . 18.1 t70 -62.26 -67.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.471 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 2.4 tppt? -36.49 -43.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.9 m-85 -81.52 -32.7 32.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 556' ' ' ASP . 19.0 t-20 -42.51 -23.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 558' ' ' PHE . 19.5 mt-10 -62.86 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.2 t -55.16 -53.97 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -161.39 -146.26 4.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -96.53 115.65 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 66.5 t -85.65 131.52 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.7 mt -100.11 -36.14 9.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -139.81 151.58 45.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -166.83 113.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -145.47 138.76 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 7.4 mm -94.51 101.55 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -49.49 113.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.03 173.3 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -165.27 123.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 61.83 25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 87.13 -20.33 26.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -102.76 140.84 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 18.9 t -69.83 147.38 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -108.46 17.7 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 54.09 57.71 15.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 9.2 p -160.2 157.8 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -176.82 -170.05 38.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -141.29 144.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.7 t -130.46 130.77 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -112.94 151.87 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 92.9 m-85 -129.22 -178.62 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -80.77 -48.12 12.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -109.56 159.07 32.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.48 4.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.67 -37.37 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.637 HG13 HH21 ' A' ' 592' ' ' ARG . 87.3 t -70.87 -31.65 46.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -63.31 -56.54 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.695 ' CA ' HD11 ' A' ' 611' ' ' ILE . 2.6 pt-20 -67.63 -29.0 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.637 HH21 HG13 ' A' ' 589' ' ' VAL . 7.1 ttp180 -58.83 -47.79 83.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.43 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 39.7 m -67.01 -57.29 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -58.38 -40.92 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 42.2 mtm -70.02 -59.07 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 2.7 mmt -63.67 -67.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 37.8 t-20 -34.12 97.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 126.62 6.62 5.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.57 ' CG ' HD11 ' A' ' 607' ' ' ILE . 17.0 ptt? -98.77 120.63 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -87.31 105.96 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 549' ' ' PHE . 23.9 mt -85.0 110.5 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 58.04 29.61 18.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 88.22 31.2 14.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -134.3 113.64 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -75.96 145.88 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 543' ' ' ARG . 3.9 pt -131.92 155.98 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.85 108.08 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.904 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.3 t -99.15 146.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 610' ' ' ARG . 0.0 OUTLIER -158.41 166.48 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.695 HD11 ' CA ' ' A' ' 591' ' ' GLU . 26.7 mm -80.59 114.37 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.9 72.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 140.07 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.75 -53.86 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -140.52 164.3 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 54.1 p -77.86 144.11 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.98 -171.7 43.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 108.29 2.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.307 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 18.0 p -156.25 162.13 40.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.2 t -87.52 -52.93 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 40.95 18.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 30.3 m -100.45 130.51 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -89.69 47.89 3.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -161.61 107.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 45.0 m -84.4 86.75 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -64.93 127.58 33.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 1.041 HD12 ' CG1' ' A' ' 609' ' ' VAL . 20.9 pt -80.68 -174.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.476 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.3 t80 -144.17 141.65 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 545' ' ' LEU . 4.1 t -124.36 158.2 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -151.41 158.14 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 74.8 29.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 607' ' ' ILE . 26.8 mt -81.61 140.9 47.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.0 Cg_endo -69.73 148.28 64.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 549' ' ' PHE . 27.4 m-85 -51.4 -59.79 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -38.96 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.694 ' CD1' ' HE2' ' A' ' 553' ' ' MET . 4.5 t80 -62.47 122.59 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 26.5 p -119.9 152.9 36.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 60.7 p-90 -41.62 -46.85 3.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 5.0 mtmp? -44.47 -47.28 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.694 ' HE2' ' CD1' ' A' ' 549' ' ' PHE . 2.0 mtm -64.78 -57.81 7.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 33.7 tp -37.85 -43.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.424 ' HA ' HG11 ' A' ' 564' ' ' VAL . 39.3 tttt -70.37 -67.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 559' ' ' ASN . 40.9 m-20 -54.07 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' ASP . 2.5 tppt? -36.63 -52.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.688 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -75.98 -27.89 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 556' ' ' ASP . 11.0 t-20 -46.8 -26.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.29 -43.65 97.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.98 -47.05 88.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -163.59 -131.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -113.18 116.97 30.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 555' ' ' LYS . 69.1 t -91.21 123.5 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.87 -45.26 6.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -128.2 137.39 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -152.5 111.75 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -144.73 141.7 29.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -90.83 98.89 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -50.01 132.94 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 73.2 mtp -122.15 163.27 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -130.9 104.73 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 64.35 31.23 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.02 37.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -134.25 129.69 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.426 ' C ' ' HE2' ' A' ' 577' ' ' LYS . 38.5 p -74.67 115.8 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.426 ' HE2' ' C ' ' A' ' 576' ' ' SER . 8.0 mmpt? -96.08 30.53 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.18 44.87 10.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 29.1 p -143.05 146.16 33.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -163.24 -169.09 26.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.9 m -141.79 154.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.89 128.8 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -107.1 157.83 17.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.473 ' CD2' HG12 ' A' ' 589' ' ' VAL . 93.8 m-85 -132.91 172.06 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -72.55 -46.05 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.1 m -111.16 156.62 40.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -33.98 15.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -62.3 -39.64 93.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 584' ' ' PHE . 75.7 t -69.48 -30.26 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.33 -49.66 76.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.745 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -77.59 -25.19 49.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.426 ' NE ' ' HE1' ' A' ' 596' ' ' MET . 32.8 ttt180 -60.75 -45.06 95.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.12 -27.98 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 86.1 m -69.24 -21.52 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -93.2 -35.13 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . 0.426 ' HE1' ' NE ' ' A' ' 592' ' ' ARG . 9.0 mtm -82.44 -49.17 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 598' ' ' ASN . 7.6 mmm -68.81 -67.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 46.0 t-20 -34.35 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 122.31 10.86 5.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.528 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.3 ptt? -99.3 109.86 22.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -73.5 103.05 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.632 HD13 ' CE1' ' A' ' 549' ' ' PHE . 14.9 mt -81.0 97.93 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t 68.39 28.25 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.75 18.3 41.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 -122.36 115.41 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -74.94 142.34 43.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.528 HD11 ' CG ' ' A' ' 600' ' ' MET . 9.8 pt -132.33 153.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 610' ' ' ARG . 3.3 m-20 -116.67 117.88 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.041 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.5 t -111.02 118.13 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 608' ' ' ASP . 0.5 OUTLIER -129.0 161.95 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 591' ' ' GLU . 14.6 mm -73.46 125.18 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.76 100.13 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -55.56 117.39 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.41 -44.04 75.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -156.44 140.79 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 16.5 t -73.67 116.61 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.39 124.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.2 7.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 45.8 m -155.94 114.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 92.9 p -151.82 131.26 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.7 t -120.96 131.21 54.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 2.0 t -88.81 -52.77 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -142.21 90.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 25.6 p -69.4 77.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.8 m -43.23 -53.18 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 57.78 115.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.601 HG22 HD13 ' A' ' 611' ' ' ILE . 11.8 pt -88.25 -174.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.85 130.44 17.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.14 147.45 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 607' ' ' ILE . 34.8 mtm180 -140.56 158.65 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.0 t30 70.77 42.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.579 HD23 HG21 ' A' ' 607' ' ' ILE . 59.4 mt -93.27 145.44 30.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.4 Cg_endo -69.75 130.31 19.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 548' ' ' ASP . 28.2 m-85 -34.31 -63.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 550' ' ' THR . 1.8 m-20 -34.28 -49.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.4 t80 -35.31 102.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 548' ' ' ASP . 78.5 p -96.67 151.7 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.529 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -38.74 -47.13 1.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.529 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 21.6 mttm -48.44 -50.7 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 554' ' ' LEU . 47.8 mmm -53.88 -62.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 553' ' ' MET . 39.8 tp -36.73 -44.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 559' ' ' ASN . 32.6 tttt -70.52 -72.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 559' ' ' ASN . 2.9 m-20 -46.27 -61.97 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -39.91 -51.05 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 540' ' ' ILE . 7.3 m-85 -77.89 -20.37 53.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 556' ' ' ASP . 12.3 t-20 -55.09 -14.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -74.33 -45.55 46.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.66 -53.74 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 589' ' ' VAL . . . -155.92 -127.51 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -117.36 122.79 44.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.0 127.65 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 43.7 mt -102.89 -42.39 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -133.81 135.39 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -149.28 118.53 6.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -146.72 144.47 29.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.5 mm -96.47 95.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -39.93 103.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.9 mtp -92.79 167.03 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -167.18 118.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.2 t30 71.09 27.96 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.31 -17.29 13.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -104.33 156.75 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 74.4 m -83.69 141.22 31.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -101.9 26.01 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 44.73 52.03 7.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 20.7 p -160.55 152.39 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -168.09 -176.03 38.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.5 155.15 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.58 125.79 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -106.02 161.2 14.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 96.7 m-85 -136.98 174.81 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.78 -41.26 30.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.8 m -112.41 154.38 44.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -33.68 16.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.37 -38.68 90.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 562' ' ' GLY . 48.2 t -69.17 -35.87 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -59.52 -48.26 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.89 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.8 pt-20 -79.54 -25.12 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.27 -41.7 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.04 -28.1 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 84.9 m -67.05 -19.82 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -93.38 -38.96 11.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -82.4 -52.66 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 598' ' ' ASN . 30.3 mmm -60.88 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 597' ' ' MET . 28.3 t-20 -34.68 126.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 96.17 11.38 54.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.69 ' CG ' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.98 112.68 24.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 604' ' ' GLY . 13.3 mtpt -80.45 106.75 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 549' ' ' PHE . 15.8 mt -83.89 103.37 13.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 25.03 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 601' ' ' LYS . . . 95.47 28.31 9.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -132.88 114.54 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -76.65 140.14 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.69 HD11 ' CG ' ' A' ' 600' ' ' MET . 2.0 pt -123.61 151.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.51 99.9 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 540' ' ' ILE . 24.4 t -90.33 132.17 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 609' ' ' VAL . 3.8 mmm180 -148.97 154.07 38.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 591' ' ' GLU . 26.4 mm -71.71 130.14 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.84 63.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -48.78 119.21 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -38.7 155.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -66.14 89.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.0 m -155.72 155.93 33.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -146.45 77.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.23 57.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.8 t -88.75 128.8 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.6 t -115.79 -57.13 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.799 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 68.6 m -100.69 151.11 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 12.6 t -79.3 -45.81 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 170.06 149.23 6.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 16.0 t -67.55 143.16 56.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 46.9 m -141.0 151.79 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -121.44 132.63 9.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.965 HD12 ' CG1' ' A' ' 609' ' ' VAL . 18.2 pt -84.63 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.407 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -135.7 141.74 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -128.43 145.61 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -137.05 157.82 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.431 ' O ' HG22 ' A' ' 607' ' ' ILE . 0.1 OUTLIER 70.36 54.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 33.6 mt -103.49 142.28 24.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 54.1 Cg_endo -69.77 133.53 25.77 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -39.13 -55.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.39 -39.05 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.688 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.1 t80 -47.32 116.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 22.1 p -108.71 153.35 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.4 p-90 -42.26 -46.59 4.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 23.7 mtmm -48.57 -51.81 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 554' ' ' LEU . 88.7 mtp -54.4 -60.93 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 558' ' ' PHE . 25.7 tp -36.81 -43.64 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 564' ' ' VAL . 17.6 tttm -72.65 -66.7 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.3 m-20 -53.9 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -38.34 -34.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 5.5 m-85 -88.67 -32.77 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 564' ' ' VAL . 3.8 m120 -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 558' ' ' PHE . 53.5 mt-10 -59.88 -44.24 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.76 -51.83 20.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -151.48 -155.09 6.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -96.22 106.98 19.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' A' ' 559' ' ' ASN . 99.6 t -73.46 129.43 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 30.2 mt -100.52 -41.51 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . 0.536 ' CD2' ' HE2' ' A' ' 583' ' ' LYS . 56.1 t80 -130.85 148.64 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -165.52 106.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.52 136.72 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 48.3 mm -81.75 92.7 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -39.32 108.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' A' ' 575' ' ' LYS . 29.2 mtp -96.94 141.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 29.1 tt0 -108.83 94.61 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 61.97 40.58 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 78.38 36.49 30.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . 0.511 ' N ' ' HE2' ' A' ' 571' ' ' MET . 29.9 mtpt -139.79 145.45 38.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 2.2 p -87.76 98.18 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.417 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 1.0 OUTLIER -89.57 33.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 577' ' ' LYS . . . 36.39 60.65 0.91 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.85 144.67 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.53 -172.72 32.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.5 m -135.52 159.57 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.6 t -145.22 128.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 566' ' ' TYR . 0.1 OUTLIER -105.17 161.73 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 92.7 m-85 -139.72 165.01 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.14 -48.99 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.2 m -106.69 157.46 35.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.54 18.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.04 -45.74 84.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.31 -31.08 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -64.37 -50.54 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.731 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.4 pt-20 -77.03 -23.59 52.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -65.74 -42.83 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.51 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 88.5 m -67.3 -19.95 65.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -92.86 -36.05 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 22.3 mtm -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 32.8 mmm -61.34 -63.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -42.08 127.04 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.56 4.64 49.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.575 ' CG ' HD11 ' A' ' 607' ' ' ILE . 14.2 ptt? -99.85 111.66 23.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -76.9 105.75 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.688 HD13 ' CE1' ' A' ' 549' ' ' PHE . 18.7 mt -81.09 111.38 17.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 55.71 25.55 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.46 31.92 7.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -136.95 113.93 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.66 144.72 47.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.575 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.8 pt -131.64 150.76 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -116.2 99.57 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.965 ' CG1' HD12 ' A' ' 540' ' ' ILE . 10.8 t -92.55 125.79 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -143.15 170.94 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.766 HD13 HG22 ' A' ' 540' ' ' ILE . 43.6 mm -79.87 142.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.11 103.94 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 157.18 18.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.52 37.05 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.3 132.05 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 24.9 m -102.64 88.48 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -177.85 141.42 5.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 152.74 69.46 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 53.3 p -55.68 155.66 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 3.0 t -104.43 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.0 t -48.08 -54.15 14.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 8.3 t -97.46 -49.5 4.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 114.33 -132.95 10.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 84.2 p -51.21 113.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.864 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 590' ' ' ALA . 70.5 m -91.93 98.25 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -70.39 124.41 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 1.023 HD12 ' CG1' ' A' ' 609' ' ' VAL . 17.1 pt -78.03 -174.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.9 141.04 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 609' ' ' VAL . 3.7 t -123.88 158.46 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.635 ' O ' HG22 ' A' ' 607' ' ' ILE . 28.6 mtp180 -153.0 155.56 37.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 72.44 38.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.64 HD23 HG21 ' A' ' 607' ' ' ILE . 37.5 mt -91.7 147.87 36.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.03 62.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 549' ' ' PHE . 35.1 m-85 -53.47 -61.71 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 t70 -35.69 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.512 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -55.06 118.01 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 14.5 p -110.66 155.63 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 64.5 p-90 -43.53 -44.77 6.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.7 mtpt -50.03 -47.32 53.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 554' ' ' LEU . 84.9 mtp -57.54 -61.87 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.637 HD23 ' HB1' ' A' ' 567' ' ' ALA . 24.2 tp -36.72 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -66.29 -70.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 559' ' ' ASN . 13.4 t70 -51.96 -61.8 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.748 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 0.2 OUTLIER -39.16 -43.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.681 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.9 m-85 -83.71 -24.94 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 556' ' ' ASP . 55.7 t30 -53.39 -26.2 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -62.98 -41.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 81.7 m -65.92 -51.19 60.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -154.6 -128.03 1.16 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -120.12 117.69 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 52.8 t -90.03 129.21 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.9 mt -103.12 -38.46 7.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -137.83 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.637 ' HB1' HD23 ' A' ' 554' ' ' LEU . . . -150.46 116.19 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.35 134.6 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.1 mm -88.58 98.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 570' ' ' LYS . 0.0 OUTLIER -38.77 135.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 27.1 mtp -124.96 153.03 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -160.46 135.02 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 60.93 26.19 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.51 -14.1 42.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.43 149.93 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 59.9 p -71.15 154.09 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.72 33.65 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.21 57.14 3.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 23.7 p -164.78 149.82 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.85 -166.6 27.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.75 144.79 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 76.7 t -133.52 122.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.68 164.18 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 582' ' ' VAL . 90.1 m-85 -140.71 176.97 8.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.27 -38.47 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.8 m -117.22 155.01 50.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -34.64 14.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.06 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.62 -37.49 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 538' ' ' SER . . . -57.27 -57.56 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.684 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -68.15 -27.4 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -64.38 -40.48 95.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.33 -24.62 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.1 m -66.83 -49.69 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -64.45 -40.95 96.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -69.65 -52.81 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.748 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 7.5 mmt -69.24 -70.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 43.5 t-20 -34.14 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 124.91 3.87 7.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.741 ' SD ' HD21 ' A' ' 602' ' ' LEU . 12.5 ptt? -99.97 133.97 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -97.32 100.58 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.741 HD21 ' SD ' ' A' ' 600' ' ' MET . 24.3 mt -75.88 91.45 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.7 t 73.93 27.43 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 95.39 12.23 54.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -116.12 113.18 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.52 145.89 38.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.64 HG21 HD23 ' A' ' 545' ' ' LEU . 2.3 pt -131.61 155.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . 0.437 ' OD1' ' NE ' ' A' ' 610' ' ' ARG . 6.7 t70 -120.26 97.41 5.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 1.023 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.7 t -91.88 115.4 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.437 ' NE ' ' OD1' ' A' ' 608' ' ' ASP . 6.3 mmt85 -125.81 153.54 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.684 HD11 ' CA ' ' A' ' 591' ' ' GLU . 6.7 mm -70.92 114.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.58 110.68 18.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.92 80.52 3.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -40.75 -48.13 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.01 169.13 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.6 p -95.36 95.22 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -151.03 155.62 26.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -43.92 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 78.3 p 37.33 42.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 16.6 t -71.42 126.62 30.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.476 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 92.4 p -93.09 42.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 9.3 m 58.83 40.51 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 134.11 93.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.7 t -129.96 41.58 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 31.9 m -62.13 89.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.05 125.42 24.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.864 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.3 pt -77.81 -175.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.515 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.2 t80 -144.73 144.13 31.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.88 152.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 607' ' ' ILE . 21.6 mtm180 -144.47 158.26 43.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 2.1 t30 74.07 34.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 45.9 mt -84.3 142.84 41.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.76 131.05 20.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 546' ' ' PRO . 39.8 m-85 -34.15 -61.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 547' ' ' PHE . 46.4 t0 -36.77 -46.51 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.2 t80 -38.59 106.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 553' ' ' MET . 3.1 p -103.23 150.85 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 55.9 p-90 -35.06 -48.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 26.8 mttt -49.44 -46.81 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 550' ' ' THR . 54.7 mmm -57.7 -62.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 553' ' ' MET . 28.3 tp -36.56 -43.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -70.96 -71.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 559' ' ' ASN . 54.3 t0 -50.03 -60.65 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.52 -50.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.692 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.1 m-85 -77.03 -28.34 54.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 556' ' ' ASP . 30.1 t-20 -47.72 -21.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.35 -46.87 84.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.09 -52.81 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -153.56 -160.32 9.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -88.71 123.55 33.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.12 131.45 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.81 -42.62 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -131.7 142.5 49.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.58 116.94 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -144.49 153.44 41.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.67 100.07 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -51.05 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 40.0 mtp -83.55 160.0 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -162.54 122.42 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 72.57 28.85 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 82.48 -21.15 7.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 153.38 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 83.9 p -81.92 133.98 35.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -86.03 18.53 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 59.56 50.57 66.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.2 p -146.94 172.28 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 170.88 179.44 42.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.515 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -137.8 156.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -141.95 136.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -115.53 152.54 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 95.5 m-85 -130.36 163.56 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.51 -48.31 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.0 m -108.36 155.81 39.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.738 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.56 18.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.732 2.288 . . . . 0.0 112.307 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -64.97 -34.13 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.23 -27.7 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -67.6 -56.76 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.828 ' HA ' HD11 ' A' ' 611' ' ' ILE . 2.5 pt-20 -69.28 -26.55 64.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.428 ' HD3' ' HE1' ' A' ' 596' ' ' MET . 37.6 ttm-85 -62.76 -45.38 92.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.02 -29.84 68.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . . . . . . . . . 74.2 m -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -91.2 -36.96 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . 0.428 ' HE1' ' HD3' ' A' ' 592' ' ' ARG . 8.9 mtm -82.82 -55.13 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.468 ' HE3' ' SD ' ' A' ' 600' ' ' MET . 29.8 mmm -59.6 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 597' ' ' MET . 35.3 t-20 -37.52 117.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 106.64 9.15 31.37 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.645 ' CG ' HD11 ' A' ' 607' ' ' ILE . 10.9 ptt? -99.85 108.75 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -75.49 102.1 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 549' ' ' PHE . 20.1 mt -75.3 97.12 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 25.68 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 99.41 15.91 31.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -119.48 112.24 19.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.308 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.5 tt0 -74.45 138.88 43.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -126.89 154.41 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.42 110.97 18.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.864 ' CG1' HD12 ' A' ' 540' ' ' ILE . 16.3 t -104.07 125.98 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -142.09 159.9 41.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 591' ' ' GLU . 23.1 mm -73.64 120.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.9 106.49 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.13 106.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -84.82 86.05 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 55.7 45.6 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 5.0 t -121.74 132.06 54.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.7 86.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.79 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.727 2.284 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 10.7 m -69.8 120.65 15.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 4.1 t -94.25 134.83 36.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 13.2 p -126.67 -30.55 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 86.6 p -61.59 -39.78 92.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 76.84 -100.25 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.0 t -139.57 156.3 46.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.9 t -113.64 36.9 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -38.66 127.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.869 HD12 ' CG1' ' A' ' 609' ' ' VAL . 13.5 pt -80.42 -174.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.454 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.5 t80 -144.16 147.42 33.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 609' ' ' VAL . 3.1 t -130.25 151.06 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.09 152.82 40.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . . . . . . . . . 1.9 t30 74.93 42.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 28.0 mt -91.86 141.75 25.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 547' ' ' PHE . 54.1 Cg_endo -69.74 128.04 15.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 41.6 m-85 -36.44 -61.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 547' ' ' PHE . 1.8 m-20 -33.87 -41.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -48.11 123.44 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 551' ' ' TRP . 40.5 p -114.06 150.43 34.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.435 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 60.9 p-90 -37.53 -47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 24.3 mttp -45.64 -45.76 14.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 557' ' ' LYS . 37.2 mmm -63.97 -57.83 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.67 -36.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -82.61 -52.15 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.56 -63.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.535 ' HG3' ' HE3' ' A' ' 597' ' ' MET . 1.8 tppt? -40.76 -41.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.677 ' HE2' HD11 ' A' ' 540' ' ' ILE . 6.4 m-85 -81.02 -38.54 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -44.09 -22.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 558' ' ' PHE . 14.5 mt-10 -60.93 -43.86 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.01 -50.13 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -156.28 -119.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -127.1 117.44 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 54.7 t -87.89 123.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -92.81 -32.73 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -143.82 145.55 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.74 112.18 2.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -139.41 141.92 37.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mm -92.91 105.19 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -64.26 102.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 93.7 mtp -93.66 -176.4 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -173.0 139.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.25 28.59 11.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 83.78 -18.08 22.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -107.68 148.32 29.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.2 m -78.64 131.56 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -93.73 30.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 41.32 54.74 3.83 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.56 144.53 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -164.0 -166.47 22.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.454 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 3.2 m -142.45 153.8 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 90.5 t -140.32 124.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -103.61 146.67 28.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.1 m-85 -123.77 169.03 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -69.48 -44.87 70.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -111.43 154.74 43.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.55 25.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.01 -35.97 72.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 34.8 t -71.18 -25.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -65.76 -55.09 19.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.751 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.0 pt-20 -69.63 -25.08 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -64.31 -44.49 91.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.22 -25.51 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 71.1 m -67.12 -53.2 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -60.32 -43.18 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 26.0 mtm -68.71 -51.74 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.535 ' HE3' ' HG3' ' A' ' 557' ' ' LYS . 5.2 mmt -70.82 -69.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 0.5 OUTLIER -34.41 98.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 124.43 6.37 6.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.655 ' HE3' HD11 ' A' ' 607' ' ' ILE . 19.8 ptt? -98.63 125.43 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -86.25 103.58 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.638 HD21 ' CE ' ' A' ' 600' ' ' MET . 17.9 mt -78.25 100.24 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 62.46 24.99 14.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.45 26.46 9.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -131.3 113.4 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.9 138.68 42.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.655 HD11 ' HE3' ' A' ' 600' ' ' MET . 10.6 pt -129.09 153.86 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . 0.435 ' HB3' ' NH1' ' A' ' 610' ' ' ARG . 4.0 m-20 -118.61 112.88 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.869 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.5 t -106.31 123.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 608' ' ' ASP . 0.1 OUTLIER -130.13 170.39 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 591' ' ' GLU . 18.9 mm -83.49 126.04 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.24 78.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.24 -49.67 68.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -154.7 140.27 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -109.15 81.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 1.7 t -42.23 -55.36 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 159.72 84.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.12 22.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 63.1 m -40.13 103.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 6.5 t -148.67 177.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.0 t -124.4 99.37 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 137.69 54.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 152.44 -121.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 57.8 m -62.83 90.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 t -85.61 143.37 28.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -108.58 136.79 13.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.718 HG22 HD13 ' A' ' 611' ' ' ILE . 8.7 pt -102.4 177.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -137.5 146.37 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 545' ' ' LEU . 3.7 t -129.24 154.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 607' ' ' ILE . 50.7 mtt180 -145.41 168.27 20.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 61.69 35.18 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 542' ' ' VAL . 28.0 mt -85.42 139.86 36.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.2 Cg_endo -69.8 144.32 53.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.292 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 35.8 m-85 -47.06 -64.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 14.7 t0 -34.12 -36.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.1 t80 -52.14 113.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 551' ' ' TRP . 10.9 p -109.14 150.72 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.531 ' CE2' ' HG3' ' A' ' 552' ' ' LYS . 62.3 p-90 -37.02 -48.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 551' ' ' TRP . 17.0 mtpt -47.44 -48.2 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 557' ' ' LYS . 95.0 mtp -58.31 -59.39 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.671 HD21 ' O ' ' A' ' 581' ' ' VAL . 15.8 tp -38.17 -43.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -70.15 -66.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 559' ' ' ASN . 5.1 t70 -55.44 -61.9 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 553' ' ' MET . 2.9 tppt? -37.68 -40.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.695 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.3 m-85 -86.12 -30.04 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 556' ' ' ASP . 14.8 t-20 -46.71 -21.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.66 -43.56 96.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 62.3 m -71.37 -54.1 11.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -152.01 -168.61 16.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.85 117.4 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.58 124.96 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 585' ' ' GLU . 96.1 mt -91.74 -41.0 10.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -137.94 151.09 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -161.75 122.4 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.13 140.39 21.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.6 mm -82.46 101.73 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -53.52 104.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -91.57 163.5 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 30.7 tt0 -146.15 107.88 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 44.8 t30 73.63 25.26 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 90.39 -18.03 51.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -101.05 149.27 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 89.4 p -83.12 118.74 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 10.2 mmmm -92.66 30.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 45.22 55.82 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 21.6 p -157.62 149.14 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -167.93 -169.92 32.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.671 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -130.51 163.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.433 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 89.8 t -151.16 110.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.428 ' HE2' ' N ' ' A' ' 583' ' ' LYS . 0.0 OUTLIER -88.53 158.34 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.41 169.3 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 565' ' ' LEU . 29.5 mt-10 -71.52 -47.48 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.9 m -113.19 157.2 41.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.65 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.16 -36.97 84.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.93 -33.92 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -60.96 -60.67 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.735 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.4 pt-20 -62.35 -24.56 67.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.99 -42.08 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.77 63.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 95.5 m -69.6 -21.71 63.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -93.25 -38.81 11.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 15.0 mtm -77.26 -51.33 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . . . . . . . . . 27.2 mmm -65.35 -63.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 54.7 t-20 -39.7 121.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 102.94 7.86 43.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.627 ' HE2' HD11 ' A' ' 607' ' ' ILE . 11.9 ptt? -99.96 107.38 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -71.96 104.86 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 549' ' ' PHE . 16.7 mt -77.08 97.62 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.9 t 65.46 26.35 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.32 20.12 21.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -124.99 110.1 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.495 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.3 tt0 -69.91 139.26 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.627 HD11 ' HE2' ' A' ' 600' ' ' MET . 20.3 pt -130.54 153.71 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.93 111.72 20.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.691 ' CG1' HD12 ' A' ' 540' ' ' ILE . 11.2 t -104.47 111.32 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -125.88 162.47 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.735 HD11 ' N ' ' A' ' 591' ' ' GLU . 8.6 mm -76.81 126.55 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -99.45 58.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.28 137.21 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.91 103.12 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -138.01 110.98 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 17.1 t 64.78 32.17 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -63.98 -150.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.92 67.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 60.2 p -43.22 131.15 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 84.7 p -145.01 109.28 4.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 535' ' ' SER . 2.5 m -82.34 41.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 534' ' ' SER . 16.8 m 34.54 40.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.23 71.24 2.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 104.83 13.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 1.2 p -121.1 -48.23 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . 49.89 100.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.939 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.2 pt -71.41 -174.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.422 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 2.9 t80 -144.73 132.22 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.518 HG13 HG22 ' A' ' 609' ' ' VAL . 2.7 t -116.56 150.68 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.62 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.1 mtp180 -142.25 159.04 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 578' ' ' GLY . 2.0 t30 72.51 26.1 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.438 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.3 mt -75.75 140.93 71.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.5 Cg_endo -69.71 127.62 14.89 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 548' ' ' ASP . 29.2 m-85 -33.99 -62.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 550' ' ' THR . 2.7 m-20 -34.2 -44.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.54 111.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 548' ' ' ASP . 74.7 p -103.54 151.58 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 52.0 p-90 -39.3 -46.78 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.476 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 6.4 mmmt -45.52 -43.55 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 557' ' ' LYS . 34.5 mmm -66.52 -63.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 12.8 tp -37.16 -34.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -86.4 -53.05 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.33 -59.16 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 553' ' ' MET . 4.1 tppt? -44.87 -47.46 11.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.643 ' HE2' HD11 ' A' ' 540' ' ' ILE . 11.6 m-85 -74.47 -40.89 61.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -42.45 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 558' ' ' PHE . 7.5 mt-10 -54.83 -43.46 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 42.5 t -70.41 -53.62 15.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -148.88 -151.42 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -101.13 113.54 26.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.98 131.47 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.69 -36.78 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -135.73 140.02 44.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -155.85 115.05 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.15 140.64 26.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.96 118.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -71.62 66.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . 0.497 ' CB ' ' HA ' ' A' ' 576' ' ' SER . 1.9 ptp -85.61 171.66 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -153.44 145.85 24.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 55.02 31.87 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 79.5 -16.36 10.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . 0.431 ' HE2' ' NZ ' ' A' ' 577' ' ' LYS . 17.3 ptmt -107.96 131.89 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.497 ' HA ' ' CB ' ' A' ' 571' ' ' MET . 48.4 t -61.35 161.49 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.431 ' NZ ' ' HE2' ' A' ' 575' ' ' LYS . 9.0 mmpt? -125.28 20.75 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 544' ' ' ASN . . . 56.94 53.83 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 15.7 p -161.38 144.34 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.61 -178.27 39.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.6 m -132.77 153.89 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.8 t -142.45 125.96 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -103.54 149.68 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 590' ' ' ALA . 97.0 m-85 -126.06 170.49 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.6 -41.58 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 4.6 m -116.73 156.27 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -33.78 16.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -65.12 -38.04 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.65 -33.5 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 584' ' ' PHE . . . -61.82 -53.34 57.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.84 ' HA ' HD11 ' A' ' 611' ' ' ILE . 3.2 pt-20 -70.67 -25.35 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -68.09 -43.47 78.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -25.26 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 90.8 m -66.77 -53.0 37.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -60.3 -42.54 95.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.83 -45.71 67.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 598' ' ' ASN . 5.6 mmt -77.64 -67.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 53.0 t-20 -34.09 100.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 121.58 10.09 6.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.72 ' CE ' HD21 ' A' ' 602' ' ' LEU . 17.8 ptt? -100.03 125.88 46.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -88.09 99.55 12.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.72 HD21 ' CE ' ' A' ' 600' ' ' MET . 15.7 mt -75.12 102.38 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.89 27.97 17.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 94.6 26.34 13.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -130.27 115.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.4 tt0 -76.84 139.38 40.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.645 HD11 ' HE3' ' A' ' 600' ' ' MET . 6.7 pt -128.35 154.47 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -115.41 103.32 10.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.939 ' CG1' HD12 ' A' ' 540' ' ' ILE . 3.2 t -98.96 125.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -142.07 164.96 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 591' ' ' GLU . 20.9 mm -80.5 111.6 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -76.03 66.29 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 613' ' ' ARG . 0.3 OUTLIER -38.65 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -92.24 -58.51 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -78.39 84.46 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.9 t -114.61 96.53 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -93.69 -171.12 39.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 35.3 t -41.36 -47.08 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.2 t -139.12 150.22 45.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 1.7 t -126.78 84.66 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 38.5 t -112.14 116.19 30.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 174.63 -159.42 28.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . 0.45 ' HA ' HG21 ' A' ' 611' ' ' ILE . 3.1 t 53.33 46.24 26.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 539' ' ' GLY . 40.2 m -153.58 177.01 11.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 538' ' ' SER . . . 34.2 91.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.994 HG22 HD13 ' A' ' 611' ' ' ILE . 5.0 pt -83.5 167.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.455 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 6.9 t80 -128.15 148.79 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 15.1 t -131.76 145.81 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 607' ' ' ILE . 18.7 mtt180 -138.18 157.47 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.8 t30 71.9 41.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.43 141.48 27.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.3 Cg_endo -69.8 131.82 21.98 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 548' ' ' ASP . 26.4 m-85 -34.45 -64.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 547' ' ' PHE . 18.3 t70 -34.17 -42.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -46.24 109.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 551' ' ' TRP . 16.5 p -106.95 153.11 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.52 ' CE2' ' HG2' ' A' ' 552' ' ' LYS . 55.4 p-90 -34.41 -46.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.52 ' HG2' ' CE2' ' A' ' 551' ' ' TRP . 9.5 mmtp -46.93 -53.66 11.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 554' ' ' LEU . 35.1 mmm -54.16 -62.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 15.1 tp -37.31 -36.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.525 ' HA ' HG11 ' A' ' 564' ' ' VAL . 21.8 tttt -81.7 -59.07 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 559' ' ' ASN . 7.5 t70 -63.67 -65.44 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 556' ' ' ASP . 7.5 tppt? -36.49 -35.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.54 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.5 m-85 -88.29 -36.27 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 556' ' ' ASP . 3.5 m120 -42.12 -23.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 42.9 mt-10 -56.87 -45.85 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.22 -51.79 48.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -155.71 -139.94 2.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.72 123.43 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 555' ' ' LYS . 76.4 t -91.98 120.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 81.4 mt -91.9 -45.9 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -128.79 141.24 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -158.67 107.55 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -141.24 135.69 30.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 24.6 mm -79.27 119.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.01 96.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 25.0 mtp -91.06 146.95 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.5 87.87 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 61.46 38.49 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 85.02 20.17 58.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -129.96 83.21 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 1.9 t -45.17 120.26 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 577' ' ' LYS . 0.0 OUTLIER -96.27 18.94 12.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 58.94 48.66 84.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.5 p -148.92 148.78 30.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.35 -169.4 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.455 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.4 m -135.59 162.47 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 77.8 t -149.16 117.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -99.99 155.21 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.37 177.83 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -78.01 -46.11 21.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.1 m -106.2 155.26 38.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.656 0.741 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.79 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.8 -39.37 94.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.738 HG13 HH21 ' A' ' 592' ' ' ARG . 90.7 t -62.43 -33.14 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.183 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.493 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -62.35 -53.29 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 611' ' ' ILE . 4.5 pt-20 -69.59 -26.11 64.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . 0.738 HH21 HG13 ' A' ' 589' ' ' VAL . 24.0 ttp180 -60.8 -47.62 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.15 -27.53 69.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.7 m -64.84 -23.75 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.405 ' NH2' ' OE2' ' A' ' 591' ' ' GLU . 87.2 mtt180 -91.53 -44.76 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.69 -53.59 13.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.492 ' CB ' HG21 ' A' ' 609' ' ' VAL . 46.4 mmm -61.59 -63.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.8 t-20 -44.36 130.92 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 95.98 4.76 59.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.666 ' HE3' HD21 ' A' ' 602' ' ' LEU . 14.3 ptt? -99.4 117.69 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -83.32 99.32 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.666 HD21 ' HE3' ' A' ' 600' ' ' MET . 72.4 mt -73.3 96.17 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 67.18 25.14 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 98.61 20.55 19.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -125.06 111.37 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 2.2 tt0 -73.18 143.77 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.616 HD11 ' CG ' ' A' ' 600' ' ' MET . 5.9 pt -132.1 154.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 540' ' ' ILE . 15.5 t -93.1 127.37 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.2 OUTLIER -146.76 160.9 41.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.994 HD13 HG22 ' A' ' 540' ' ' ILE . 23.3 mm -74.8 126.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.15 61.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.43 ' H ' ' CD ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -66.04 -29.63 70.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.34 161.63 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -84.69 141.38 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 94.3 p -45.89 115.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 169.54 -100.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 100.83 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.289 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 17.7 t -113.27 -33.48 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 64.5 p -64.91 133.08 51.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.5 m -72.26 99.84 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.8 t -161.37 150.57 16.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 85.04 165.47 40.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 17.4 m -52.61 173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 95.0 p -143.11 116.35 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -104.31 125.62 8.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.961 HD12 ' CG1' ' A' ' 609' ' ' VAL . 16.1 pt -76.7 -176.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 3.5 t80 -142.97 138.57 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 545' ' ' LEU . 4.1 t -121.43 146.6 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -137.71 158.23 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 606' ' ' GLU . 1.9 t30 73.56 33.59 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 542' ' ' VAL . 35.2 mt -84.19 142.14 40.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.714 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.69 69.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 549' ' ' PHE . 26.4 m-85 -55.78 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 547' ' ' PHE . 21.9 t70 -38.22 -27.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 547' ' ' PHE . 4.2 t80 -57.7 110.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 551' ' ' TRP . 5.7 p -104.98 149.81 25.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.445 ' CG ' ' N ' ' A' ' 552' ' ' LYS . 57.2 p-90 -36.75 -48.59 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 551' ' ' TRP . 41.3 mttt -48.03 -50.11 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 48.2 mmm -54.23 -61.76 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 553' ' ' MET . 38.2 tp -36.62 -46.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.458 ' HA ' HG11 ' A' ' 564' ' ' VAL . 17.8 tttm -68.45 -74.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 559' ' ' ASN . 6.4 t0 -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -37.9 -52.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.696 ' HE2' HD11 ' A' ' 540' ' ' ILE . 4.1 m-85 -77.07 -23.6 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 556' ' ' ASP . 27.8 t-20 -55.27 -19.15 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.36 -42.97 82.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.02 -53.78 18.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -147.66 -141.21 3.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.06 115.78 30.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.814 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 555' ' ' LYS . 88.3 t -85.98 125.25 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.13 -37.63 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -136.44 139.58 42.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -157.23 111.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -139.02 151.14 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 18.2 mm -101.28 107.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -61.77 120.1 10.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.67 163.27 12.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 577' ' ' LYS . 33.2 tt0 -153.27 114.61 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 73.68 27.18 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 81.53 -11.2 46.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 140.44 46.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 9.7 t -69.13 138.98 54.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 572' ' ' GLU . 1.3 mmmp? -109.32 24.77 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 49.38 51.47 26.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 7.6 p -144.28 144.16 31.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.886 0.375 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -166.58 -176.14 37.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 541' ' ' PHE . 2.7 m -138.23 154.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.405 HG12 ' CE1' ' A' ' 584' ' ' PHE . 55.4 t -138.97 130.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -109.72 149.58 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 83.1 m-85 -127.84 169.75 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.56 -44.84 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 2.7 m -113.37 154.3 45.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -32.96 17.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -63.48 -35.25 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.81 -39.33 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -57.94 -55.78 30.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.661 ' CA ' HD11 ' A' ' 611' ' ' ILE . 3.6 pt-20 -66.44 -24.85 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -64.45 -45.33 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.87 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 540' ' ' ILE . 83.9 m -67.75 -20.91 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -93.01 -35.25 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 18.5 mtm -82.76 -51.85 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 598' ' ' ASN . 4.9 mmm -64.24 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 2.5 t30 -37.95 104.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 114.66 12.25 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.488 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.4 ptt? -99.94 110.67 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -73.84 105.73 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 549' ' ' PHE . 17.0 mt -79.96 90.39 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 71.55 31.89 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 93.38 13.89 54.82 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -118.7 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 544' ' ' ASN . 1.8 tt0 -72.83 139.35 46.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 600' ' ' MET . 14.5 pt -130.95 154.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.52 124.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.961 ' CG1' HD12 ' A' ' 540' ' ' ILE . 6.7 t -115.89 130.76 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -144.81 153.63 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.778 HD13 HG22 ' A' ' 540' ' ' ILE . 15.2 mm -68.55 112.36 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 87.03 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -81.01 119.87 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . 0.456 ' O ' ' HB3' ' A' ' 615' ' ' ALA . 32.2 m-20 -79.13 136.62 37.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 614' ' ' ASN . . . 69.04 37.69 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 p -60.7 122.42 14.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -157.18 120.58 0.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.2 t -137.75 152.86 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 1.5 t -48.96 -59.82 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 32.4 t -73.37 162.9 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 18.4 m -67.5 165.48 16.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.38 -149.34 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m 60.94 36.11 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 50.2 m -51.26 127.84 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -128.52 127.07 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.825 HD12 ' CG1' ' A' ' 609' ' ' VAL . 12.1 pt -88.61 177.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -133.4 144.23 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 543' ' ' ARG . 21.2 t -127.5 160.82 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.509 ' N ' HG12 ' A' ' 542' ' ' VAL . 31.3 mtp180 -156.05 167.13 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.435 ' C ' HD22 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 61.86 37.48 15.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 607' ' ' ILE . 38.2 mt -90.93 145.78 32.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 549' ' ' PHE . 53.1 Cg_endo -69.82 144.98 55.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -52.13 -50.21 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.79 -20.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 546' ' ' PRO . 4.3 t80 -68.29 104.43 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 551' ' ' TRP . 3.4 p -99.49 152.66 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.515 ' CZ2' ' HG3' ' A' ' 552' ' ' LYS . 61.7 p-90 -36.91 -47.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 551' ' ' TRP . 28.4 mtmt -49.55 -47.77 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 554' ' ' LEU . 61.4 mmm -57.9 -62.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 581' ' ' VAL . 18.8 tp -36.49 -43.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.574 ' O ' HG21 ' A' ' 564' ' ' VAL . 14.2 tttm -70.56 -70.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 559' ' ' ASN . 1.5 m-20 -52.05 -60.69 2.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -37.49 -42.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.665 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -84.96 -28.63 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 556' ' ' ASP . 38.5 t-20 -47.77 -30.36 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -58.42 -42.96 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 48.6 m -65.87 -48.35 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -157.27 -126.76 0.93 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -121.2 123.56 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 555' ' ' LYS . 86.0 t -92.68 128.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 585' ' ' GLU . 84.7 mt -104.95 -40.71 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -132.53 143.27 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -160.4 116.72 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -144.99 130.24 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 30.7 mm -84.16 100.16 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -48.81 112.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 80.8 mtp -95.46 162.86 13.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.15 124.14 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.6 m120 60.18 29.55 19.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.42 -18.9 30.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -110.45 143.96 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 11.6 t -73.78 154.05 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.59 17.49 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' SG ' ' A' ' 579' ' ' CYS . . . 59.64 49.0 83.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 578' ' ' GLY . 3.6 m -156.59 139.26 15.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -159.12 -157.16 8.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.44 ' O ' HD21 ' A' ' 554' ' ' LEU . 2.4 m -141.5 163.13 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 111.086 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.422 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.4 t -150.11 134.26 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -114.2 159.7 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 590' ' ' ALA . 96.3 m-85 -134.23 170.35 15.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.432 ' HA ' HD11 ' A' ' 565' ' ' LEU . 14.3 mt-10 -68.69 -45.25 72.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m -113.82 158.78 38.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.17 8.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.66 -39.68 85.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.8 t -68.2 -32.31 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 584' ' ' PHE . . . -60.17 -55.16 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.66 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.2 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -59.52 -42.27 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -69.97 -25.05 63.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 73.5 m -70.01 -21.92 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -93.19 -38.18 11.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 14.6 mtm -78.69 -50.02 12.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 599' ' ' GLY . 3.0 mmt -67.25 -68.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 609' ' ' VAL . 1.3 t30 -35.33 96.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 597' ' ' MET . . . 128.22 5.04 5.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.655 ' HG3' HD11 ' A' ' 607' ' ' ILE . 16.4 ptt? -100.13 116.33 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.02 105.38 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.4 mt -82.05 109.67 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.1 t 59.78 26.6 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 92.69 19.82 36.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -122.44 116.24 23.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.81 144.18 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.663 HG21 HD23 ' A' ' 545' ' ' LEU . 7.8 pt -132.18 154.88 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.11 103.17 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.825 ' CG1' HD12 ' A' ' 540' ' ' ILE . 9.8 t -98.9 127.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -146.72 162.46 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.66 HD11 ' CA ' ' A' ' 591' ' ' GLU . 16.7 mm -71.92 133.01 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.07 -23.14 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 58.92 27.96 16.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -86.74 103.32 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -98.93 148.09 24.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.8 p -85.04 54.44 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -159.33 94.92 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -46.05 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 26.9 t -99.53 132.87 44.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 78.2 p -91.48 163.02 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 94.6 p -74.79 -24.26 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' SER . . . . . . . . . . . . . 28.0 t -75.94 -48.27 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . 94.83 173.68 37.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 t -80.9 105.06 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.81 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.2 p -98.12 117.52 32.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -125.58 125.42 5.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.751 HD12 ' CG1' ' A' ' 609' ' ' VAL . 14.8 pt -83.64 177.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.424 ' CD2' ' CG1' ' A' ' 581' ' ' VAL . 4.9 t80 -138.38 147.73 43.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' VAL . . . . . . . . . . . . . 4.6 t -128.78 150.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 607' ' ' ILE . 36.7 mtm180 -143.84 158.16 43.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' ASN . . . . . 0.441 ' C ' HD22 ' A' ' 544' ' ' ASN . 0.2 OUTLIER 69.47 44.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 607' ' ' ILE . 41.9 mt -93.57 143.51 26.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 547' ' ' PHE . 53.8 Cg_endo -69.72 128.25 15.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 546' ' ' PRO . 31.3 m-85 -34.3 -61.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 550' ' ' THR . 23.4 t0 -35.33 -44.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 602' ' ' LEU . 4.5 t80 -42.22 127.15 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 548' ' ' ASP . 33.0 p -122.46 153.21 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -38.47 -44.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -47.87 -45.08 29.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 554' ' ' LEU . 36.9 mmm -65.72 -61.3 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 582' ' ' VAL . 14.1 tp -37.16 -37.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -83.18 -61.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -56.9 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -41.21 -50.05 3.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' PHE . . . . . 0.668 ' HE2' HD11 ' A' ' 540' ' ' ILE . 3.8 m-85 -70.93 -30.87 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -41.91 -24.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 558' ' ' PHE . 48.5 mt-10 -58.83 -50.91 72.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' GLY . . . . . . . . . . . . . . . -164.54 -168.46 26.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 563' ' ' HIS . 5.7 t60 -82.18 111.22 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.3 130.93 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 97.2 mt -99.9 -39.24 8.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' TYR . . . . . 0.455 ' CE1' ' OD1' ' A' ' 568' ' ' ASP . 76.3 t80 -139.45 136.19 34.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.39 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.455 ' OD1' ' CE1' ' A' ' 566' ' ' TYR . 0.6 OUTLIER -151.51 156.59 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.7 95.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -43.07 121.24 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' MET . . . . . . . . . . . . . 57.1 mtp -104.89 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -174.92 119.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 67.08 28.64 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 86.11 -20.48 20.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 165.7 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 71.0 p -93.41 138.36 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -101.28 25.57 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 52.39 54.03 28.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.32 140.29 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -155.94 -165.8 15.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 583' ' ' LYS . 2.5 m -144.63 164.56 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 554' ' ' LEU . 71.5 t -156.99 122.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.435 ' NZ ' ' HB ' ' A' ' 581' ' ' VAL . 0.0 OUTLIER -94.23 164.24 13.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' PHE . . . . . 0.487 ' CD1' HG12 ' A' ' 589' ' ' VAL . 93.6 m-85 -142.3 160.0 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.03 -46.77 73.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 3.8 m -109.15 155.67 40.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.711 0.767 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.48 20.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -63.3 -45.45 91.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 584' ' ' PHE . 94.7 t -59.67 -37.08 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' C ' HD11 ' A' ' 611' ' ' ILE . . . -61.56 -53.12 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.786 ' CA ' HD11 ' A' ' 611' ' ' ILE . 4.3 pt-20 -69.77 -26.04 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -69.41 -40.4 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.25 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 598' ' ' ASN . 74.2 m -67.42 -21.61 65.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -92.85 -40.84 10.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 23.6 mtm -76.9 -52.8 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' MET . . . . . 0.498 ' CB ' HG21 ' A' ' 609' ' ' VAL . 24.7 mmm -62.62 -63.13 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 594' ' ' CYS . 49.6 t-20 -44.44 120.68 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . 109.34 3.2 31.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' MET . . . . . 0.601 ' CG ' HD11 ' A' ' 607' ' ' ILE . 13.7 ptt? -98.7 115.06 27.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -80.6 101.2 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.461 HD13 ' CE1' ' A' ' 549' ' ' PHE . 30.8 mt -77.24 104.28 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' SER . . . . . . . . . . . . . 1.3 t 59.46 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 97.09 15.33 39.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.55 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -118.21 116.28 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.1 139.44 38.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 543' ' ' ARG . 4.3 pt -127.14 153.5 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.43 98.47 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.751 ' CG1' HD12 ' A' ' 540' ' ' ILE . 12.3 t -91.09 124.58 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 609' ' ' VAL . 1.0 OUTLIER -141.23 161.94 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.786 HD11 ' CA ' ' A' ' 591' ' ' GLU . 21.9 mm -73.9 120.96 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.79 52.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 613' ' ' ARG . 0.0 OUTLIER -47.83 141.46 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -143.43 130.83 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -81.96 96.99 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 47.0 t -50.42 -42.64 54.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -173.17 -157.72 15.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -14.33 35.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 47.2 t -42.7 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 76.6 p -173.15 175.21 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 stop_ save_