data_2dgx_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 2dgx _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 ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 629' ' ' VAL . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.418 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.445 ' CD2' HG11 ' A' ' 602' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 631' ' ' LEU . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 557' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 610' ' ' ALA . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 600' ' ' ALA . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.412 ' CE1' ' CB ' ' A' ' 616' ' ' SER . 90.6 m-70 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 610' ' ' ALA . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 630' ' ' SER . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' SER . . . . . 0.412 ' CB ' ' CE1' ' A' ' 582' ' ' HIS . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 620' ' ' TYR . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.455 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 614' ' ' VAL . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.529 ' CD2' HD11 ' A' ' 622' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.529 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.402 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.473 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.473 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.408 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 620' ' ' TYR . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.402 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 564' ' ' TYR . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.465 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.465 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 610' ' ' ALA . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.433 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.469 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 610' ' ' ALA . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 620' ' ' TYR . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.488 HD13 ' CD2' ' A' ' 620' ' ' TYR . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 600' ' ' ALA . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.433 ' OD2' ' CD1' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.433 ' CD1' ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.45 ' O ' ' CD1' ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . 0.409 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.489 HG13 ' CZ ' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.464 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.452 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 622' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.45 HD12 ' CD1' ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.448 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.441 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 565' ' ' ARG . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 623' ' ' GLY . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.419 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 15.6 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.517 ' CZ ' HG13 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 588' ' ' VAL . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 587' ' ' SER . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 595' ' ' ASP . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.4 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.453 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.444 ' CD2' HD11 ' A' ' 622' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.453 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.456 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.469 ' NE2' HG12 ' A' ' 588' ' ' VAL . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.57 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . 0.469 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 0.8 OUTLIER -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . 0.416 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 610' ' ' ALA . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 620' ' ' TYR . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.532 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 620' ' ' TYR . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.433 ' CG ' HD11 ' A' ' 590' ' ' LEU . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 602' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' A' ' 572' ' ' GLN . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.535 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 610' ' ' ALA . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.448 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 562' ' ' ILE . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 559' ' ' VAL . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.451 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 562' ' ' ILE . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 602' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . 0.424 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 579' ' ' PHE . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.424 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 622' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.417 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.453 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.443 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.453 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 610' ' ' ALA . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' A' ' 622' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.443 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 625' ' ' LYS . 0.2 OUTLIER 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 6.0 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 82.7 m-70 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 23.7 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.479 ' CB ' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 620' ' ' TYR . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.467 ' HB3' ' ND2' ' A' ' 561' ' ' ASN . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.535 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 564' ' ' TYR . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 562' ' ' ILE . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.535 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.41 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 16.9 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . 0.404 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.459 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.551 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.41 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 564' ' ' TYR . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.413 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.446 HD13 ' CA ' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.455 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.455 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 602' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.515 HG12 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 610' ' ' ALA . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 630' ' ' SER . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.406 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.469 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.406 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' SER . . . . . 0.437 ' N ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 564' ' ' TYR . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.499 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.402 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.545 ' ND2' ' NZ ' ' A' ' 625' ' ' LYS . 2.3 t30 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 571' ' ' LEU . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.467 ' HA ' ' CD ' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 562' ' ' ILE . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . 0.492 ' OE1' ' CG1' ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . 0.492 ' CG1' ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . 0.41 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . 0.41 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.47 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.526 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.545 ' NZ ' ' ND2' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 619' ' ' ARG . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . 0.671 ' ND2' ' HZ1' ' A' ' 625' ' ' LYS . 0.3 OUTLIER 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' SER . . . . . 0.409 ' C ' HG21 ' A' ' 588' ' ' VAL . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 587' ' ' SER . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 597' ' ' GLN . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' VAL . . . . . 0.429 ' CG2' HG12 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 620' ' ' TYR . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' TYR . . . . . 0.472 ' CD2' HD13 ' A' ' 622' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.671 ' HZ1' ' ND2' ' A' ' 561' ' ' ASN . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 108.1 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 13.0 t -118.78 117.28 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -49.3 156.32 1.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.5 p -48.12 158.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -154.59 112.81 3.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 113.39 -60.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -129.21 159.21 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 113.66 176.36 19.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -135.91 127.25 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 629' ' ' VAL . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.418 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.445 ' CD2' HG11 ' A' ' 602' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 631' ' ' LEU . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 557' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 610' ' ' ALA . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.5 149.65 50.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 32.3 p -135.51 131.97 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -93.64 -147.23 21.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -86.43 -59.98 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 36.7 p -89.46 127.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.83 -174.48 39.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 4.8 m 46.64 46.3 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 27.0 t -99.99 123.21 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 56.8 m -73.35 95.93 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 97.1 p -50.68 135.81 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 107.49 123.14 4.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 54.2 p -157.04 125.73 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.8 t -133.58 133.34 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -140.29 138.37 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 141.16 77.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -94.19 95.35 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 600' ' ' ALA . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.412 ' CE1' ' CB ' ' A' ' 616' ' ' SER . 90.6 m-70 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 610' ' ' ALA . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 630' ' ' SER . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' SER . . . . . 0.412 ' CB ' ' CE1' ' A' ' 582' ' ' HIS . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 620' ' ' TYR . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.455 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.416 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 614' ' ' VAL . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -136.25 157.94 45.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.91 139.45 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -152.37 -62.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -79.2 96.04 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 45.4 p -94.37 41.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -172.41 71.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.06 25.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.3 p -126.73 122.16 34.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.9 p -74.37 -47.39 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 16.1 m -42.96 -58.03 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 79.8 p -116.51 116.3 27.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 106.57 162.8 22.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.3 m -143.94 147.29 33.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 t -103.81 131.94 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -50.98 -68.26 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -106.99 106.69 17.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 178.02 165.93 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -128.87 102.18 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.529 ' CD2' HD11 ' A' ' 622' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.529 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.424 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -129.11 173.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.0 t -57.17 158.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 161.07 -78.22 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -66.39 150.41 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.7 m 57.27 49.07 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -86.78 146.19 20.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -20.86 34.59 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.2 t -43.43 -65.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 83.2 p 46.83 43.15 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.52 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 36.2 p -104.55 -54.7 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 58.5 m -129.16 142.41 50.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 137.56 79.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 6.1 t -79.21 110.17 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.386 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.9 m -77.52 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 163.91 -89.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 110.94 8.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -134.55 -168.08 11.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -136.44 124.27 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.402 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.473 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.473 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.408 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 620' ' ' TYR . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.402 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.36 118.6 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 21.5 m -50.64 -53.21 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 107.43 135.38 7.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -63.34 129.88 42.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.5 p -142.76 166.66 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -163.54 81.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -33.58 16.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 10.0 t -83.64 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 85.7 p -170.5 168.04 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t -64.62 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -85.94 177.27 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 550' ' ' SER . . . 79.78 -156.55 40.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 549' ' ' GLY . 37.7 m 35.99 41.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 57.9 m -128.94 120.46 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 57.68 41.65 93.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -95.54 -54.38 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -174.67 129.24 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -129.93 106.51 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 564' ' ' TYR . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.465 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.465 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 610' ' ' ALA . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.433 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.469 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -149.35 138.3 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 1.2 t -141.06 160.0 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.33 -101.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -67.23 135.93 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 75.7 p -105.68 -47.68 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 69.39 -174.95 33.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.95 55.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 68.3 p -139.65 170.46 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.8 m -94.07 -60.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 64.2 m -86.37 117.96 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.3 m -120.33 130.63 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -85.71 75.12 2.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 32.7 p -125.11 141.87 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 p -130.21 -58.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -49.86 -90.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -44.92 104.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 168.92 -165.03 38.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -140.23 112.33 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.518 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.402 ' O ' ' CD1' ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 610' ' ' ALA . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 620' ' ' TYR . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.488 HD13 ' CD2' ' A' ' 620' ' ' TYR . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.411 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -125.38 127.68 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 30.3 p -58.94 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -106.21 -148.9 16.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -56.62 155.26 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 2.1 t -106.41 42.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 41.82 -158.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 21.8 m -78.05 108.72 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.6 t -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.9 t -140.35 163.78 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 -52.97 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 89.13 170.48 45.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 58.8 p -117.83 91.61 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.1 m -72.69 111.61 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 133.66 -95.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.06 112.88 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 142.76 132.77 2.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.25 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 600' ' ' ALA . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.433 ' OD2' ' CD1' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.433 ' CD1' ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.45 ' O ' ' CD1' ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 562' ' ' ILE . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . 0.409 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -133.71 141.12 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 82.7 p -55.49 174.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 175.61 52.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -174.02 142.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 6.4 t -115.31 82.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 133.62 83.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.5 m -49.69 138.65 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.0 t -64.48 106.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 45.0 m -84.12 -54.19 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.6 m -52.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -135.68 97.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 41.4 m -126.77 117.82 23.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.7 t -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 116.17 107.63 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 553' ' ' ASN . 5.4 p30 -145.9 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.79 32.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -147.35 141.65 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.489 HG13 ' CZ ' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.464 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.452 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.452 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 622' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.45 HD12 ' CD1' ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.448 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.77 133.4 49.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 34.4 p -50.65 128.09 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -122.21 -59.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -158.77 132.5 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 83.9 p -140.24 149.97 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -118.69 157.17 15.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.55 7.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 55.6 p -164.82 129.69 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 3.9 t -74.02 111.57 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 69.8 p -76.94 139.9 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 9.6 t -173.02 130.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -56.97 151.98 24.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 68.8 m -65.76 119.45 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.3 t -148.21 159.37 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -148.94 118.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -109.65 -50.41 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 156.84 -171.88 34.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.69 118.54 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.441 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 565' ' ' ARG . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 623' ' ' GLY . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.419 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 15.6 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.517 ' CZ ' HG13 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 588' ' ' VAL . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 587' ' ' SER . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 595' ' ' ASP . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.4 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.423 HD11 ' CZ ' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.453 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.444 ' CD2' HD11 ' A' ' 622' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.453 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -124.99 121.84 35.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 11.8 t -130.07 133.44 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 145.38 89.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -117.55 -46.02 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 17.5 t -157.23 115.31 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.27 2.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 15.7 p -65.87 124.49 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.2 p -110.6 80.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 m -58.5 156.48 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -115.85 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.95 79.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.9 t -45.32 99.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 60.1 p -166.21 137.41 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -178.58 -46.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.25 149.39 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 154.76 96.18 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -137.95 121.77 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.456 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.469 ' NE2' HG12 ' A' ' 588' ' ' VAL . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.57 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.469 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 0.8 OUTLIER -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . 0.416 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 610' ' ' ALA . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 620' ' ' TYR . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.532 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 620' ' ' TYR . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.74 159.85 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 8.9 t -109.75 135.81 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -120.3 83.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.57 130.66 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 38.3 t -123.27 155.97 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 73.89 145.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 67.6 m -147.34 178.35 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 66.0 m -73.35 151.14 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.3 m -121.9 -45.81 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 m -88.88 81.48 6.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -47.91 130.1 17.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 1.5 t -75.82 91.53 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 97.1 p -39.76 149.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -129.26 95.88 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.41 41.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 99.04 -171.08 24.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -142.64 112.1 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.433 ' CG ' HD11 ' A' ' 590' ' ' LEU . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 602' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' A' ' 572' ' ' GLN . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.535 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 610' ' ' ALA . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.448 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -122.14 159.44 27.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.1 t -127.7 133.07 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -100.55 -129.63 6.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -80.65 98.96 7.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 25.4 m -114.3 100.68 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -137.33 83.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.69 59.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 95.0 p -125.37 -44.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.3 t -146.95 141.48 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 67.3 m -61.42 150.47 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 43.1 m -56.85 116.66 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.08 67.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 16.5 t 64.78 39.78 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 85.6 p -94.97 151.16 19.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -169.07 103.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -125.29 112.51 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 114.23 83.37 1.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -100.39 117.11 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 562' ' ' ILE . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 559' ' ' VAL . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.451 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.4 HD13 ' CG2' ' A' ' 562' ' ' ILE . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 602' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . 0.424 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.524 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.524 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 579' ' ' PHE . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.424 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 622' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.474 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -135.8 -177.45 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 51.7 p -76.26 141.28 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -80.47 175.79 54.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -85.84 123.93 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 5.6 m 58.15 25.27 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.46 152.58 27.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.21 13.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.1 t -53.18 -50.75 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 29.6 t -94.88 168.7 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 53.7 m -56.35 -51.81 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 45.0 t -98.71 103.98 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.42 49.03 0.94 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 24.8 m -84.07 165.53 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 33.3 m -43.63 145.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.21 52.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -74.29 114.81 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -99.76 -104.29 2.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -146.45 126.98 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.417 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.453 ' CD1' ' HB1' ' A' ' 600' ' ' ALA . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.443 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.453 ' HB1' ' CD1' ' A' ' 562' ' ' ILE . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 610' ' ' ALA . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' A' ' 622' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.443 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.99 163.35 29.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 97.9 m -99.68 104.86 16.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -63.64 -66.49 2.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -132.66 145.03 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 67.7 m -106.89 124.96 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 152.01 83.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 164.18 35.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.9 m -162.19 167.42 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 4.7 t -168.73 116.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 75.0 m -158.89 131.18 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 23.2 t -140.37 156.74 46.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -154.53 -40.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 14.7 m -38.84 133.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.7 t -88.5 132.13 34.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 94.09 55.8 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -79.68 113.66 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -108.69 -139.82 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -121.57 126.84 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 625' ' ' LYS . 0.2 OUTLIER 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 6.0 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 82.7 m-70 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 23.7 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.479 ' CB ' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 620' ' ' TYR . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.467 ' HB3' ' ND2' ' A' ' 561' ' ' ASN . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -131.03 173.37 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 73.4 p -50.78 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.1 -108.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -133.28 109.99 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 49.6 m -49.29 135.24 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -164.6 87.58 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.11 27.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.8 t -76.9 128.71 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 8.1 m -116.03 158.68 22.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.0 m -124.57 -53.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 21.9 t -128.78 161.87 28.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 138.09 98.86 0.47 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 29.5 t -133.45 139.36 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.1 p -52.96 -48.6 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 83.56 100.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -87.17 -57.89 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 173.62 -160.58 30.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -145.64 121.29 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.535 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 564' ' ' TYR . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 562' ' ' ILE . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 620' ' ' TYR . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.535 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -133.24 137.44 46.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.9 t -162.81 142.36 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.6 -90.77 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -164.76 168.48 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 50.4 m -115.58 -49.69 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -171.9 86.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.8 m -66.46 101.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 70.2 p -44.57 118.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.5 p -68.17 -51.88 40.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 89.4 p -123.74 138.37 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.24 113.75 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.3 m -105.31 -50.94 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 83.9 p -92.05 127.06 37.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 553' ' ' ASN . . . 115.57 -138.96 15.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 552' ' ' GLY . 48.1 t30 36.83 42.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -165.55 -165.99 23.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.91 104.18 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.41 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 16.9 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . 0.404 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . 0.404 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.459 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.551 ' CD2' HD12 ' A' ' 622' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 620' ' ' TYR . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.41 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.94 135.68 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 17.6 m -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -123.2 73.45 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -125.9 136.13 52.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.2 m -89.93 154.29 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.46 ' N ' ' HD2' ' A' ' 638' ' ' PRO . . . -68.46 -59.74 5.97 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 637' ' ' GLY . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.9 m -110.08 133.28 53.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.2 p -62.79 168.61 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 p -46.99 123.33 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.2 m -129.78 95.83 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 142.53 -165.02 26.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.4 t -86.03 136.25 33.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 34.1 m -104.12 151.91 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 96.17 69.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -104.78 113.18 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 68.36 -114.71 6.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -133.89 107.02 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 564' ' ' TYR . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.413 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.446 HD13 ' CA ' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.455 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.455 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 602' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.515 HG12 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 610' ' ' ALA . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 630' ' ' SER . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.406 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.457 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.469 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.406 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' SER . . . . . 0.437 ' N ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -123.94 114.78 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 12.6 t -106.65 164.33 12.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -96.01 -141.75 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -58.97 148.67 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.0 p -45.29 -47.26 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 81.69 150.87 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 120.72 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 57.2 p -69.96 149.8 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.7 m 56.98 42.02 26.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 m -101.65 134.84 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 32.1 t -72.63 85.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -112.59 -97.28 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 8.3 t -93.66 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.6 t -61.76 160.6 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 65.48 122.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -124.91 39.43 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 81.53 -131.18 10.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -149.17 119.49 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 564' ' ' TYR . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.499 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.402 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.8 161.33 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 33.3 p -109.29 133.85 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 635' ' ' ALA . . . -87.29 178.85 47.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 634' ' ' GLY . . . -37.18 -56.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 34.4 p -80.66 169.36 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -152.76 67.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.57 45.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 96.8 p -103.13 139.96 37.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.1 p -124.39 174.2 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t 57.26 44.16 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.6 t -61.0 132.29 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.96 -43.56 8.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 50.5 m -44.26 112.43 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.0 t -53.27 116.83 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -44.13 114.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -127.94 -44.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -98.2 -134.92 8.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -113.63 114.56 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . . . . . . . . . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.545 ' ND2' ' NZ ' ' A' ' 625' ' ' LYS . 2.3 t30 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 571' ' ' LEU . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.467 ' HA ' ' CD ' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 562' ' ' ILE . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . 0.492 ' OE1' ' CG1' ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.492 ' CG1' ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . 0.41 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . 0.41 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.47 ' HA ' ' CG1' ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.534 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 620' ' ' TYR . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.526 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.545 ' NZ ' ' ND2' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 619' ' ' ARG . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -136.12 154.52 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.2 t -54.19 132.96 44.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -119.15 -96.13 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.49 105.1 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.4 t -48.39 157.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -51.72 146.07 13.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 31.9 m 53.91 41.35 32.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.5 m 64.45 42.29 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.8 p 44.47 42.09 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 92.9 p -100.87 139.72 36.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 157.29 -161.52 31.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.4 p -121.18 135.58 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 110.826 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.6 m -129.73 121.48 26.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -149.97 96.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.65 121.44 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 161.01 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -109.94 110.79 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . 0.671 ' ND2' ' HZ1' ' A' ' 625' ' ' LYS . 0.3 OUTLIER 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' SER . . . . . 0.409 ' C ' HG21 ' A' ' 588' ' ' VAL . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 587' ' ' SER . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.464 ' CB ' ' O ' ' A' ' 597' ' ' GLN . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' VAL . . . . . 0.429 ' CG2' HG12 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 620' ' ' TYR . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' TYR . . . . . 0.472 ' CD2' HD13 ' A' ' 622' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 623' ' ' GLY . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.671 ' HZ1' ' ND2' ' A' ' 561' ' ' ASN . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 620' ' ' TYR . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -121.47 -179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 96.4 m -108.42 100.14 9.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -130.72 -92.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.91 103.73 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 95.6 p -157.2 129.96 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 122.79 84.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.27 37.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.4 m 39.81 53.97 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.8 t -81.07 149.1 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.632 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 574' ' ' LEU . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 570' ' ' GLU . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.626 ' HB2' HG21 ' A' ' 588' ' ' VAL . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.632 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 576' ' ' GLN . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 611' ' ' ILE . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 610' ' ' ALA . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.561 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.774 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.774 HD13 HD12 ' A' ' 622' ' ' ILE . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 614' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.667 ' CD2' HG11 ' A' ' 602' ' ' VAL . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' A' ' 605' ' ' GLU . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG11 ' CD2' ' A' ' 579' ' ' PHE . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.412 ' HG2' ' CD ' ' A' ' 586' ' ' LYS . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 611' ' ' ILE . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 610' ' ' ALA . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 629' ' ' VAL . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.442 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.606 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.787 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.787 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 611' ' ' ILE . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 579' ' ' PHE . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.518 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.518 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.624 ' O ' HG21 ' A' ' 585' ' ' VAL . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 617' ' ' LEU . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 576' ' ' GLN . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 579' ' ' PHE . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 610' ' ' ALA . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 579' ' ' PHE . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.597 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.764 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.764 HD13 HD12 ' A' ' 622' ' ' ILE . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 604' ' ' MET . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.406 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 623' ' ' GLY . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.572 ' O ' HD12 ' A' ' 574' ' ' LEU . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 562' ' ' ILE . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 570' ' ' GLU . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.41 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.491 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 579' ' ' PHE . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' MET . . . . . 0.425 ' HB2' ' HB3' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 611' ' ' ILE . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.58 ' HA ' HG11 ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 579' ' ' PHE . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.592 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.587 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 611' ' ' ILE . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.805 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.534 HG21 HG23 ' A' ' 602' ' ' VAL . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.631 ' CG2' HD22 ' A' ' 571' ' ' LEU . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.631 HD22 ' CG2' ' A' ' 562' ' ' ILE . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.668 ' O ' HG21 ' A' ' 585' ' ' VAL . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.805 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 576' ' ' GLN . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 572' ' ' GLN . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.482 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 562' ' ' ILE . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.534 HG23 HG21 ' A' ' 559' ' ' VAL . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.695 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.555 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 629' ' ' VAL . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.813 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 631' ' ' LEU . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.462 ' OE1' HG22 ' A' ' 601' ' ' VAL . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.512 HD11 ' CA ' ' A' ' 623' ' ' GLY . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.578 ' O ' HD12 ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.667 ' HB3' HD11 ' A' ' 590' ' ' LEU . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 570' ' ' GLU . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.613 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 572' ' ' GLN . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' SER . . . . . 0.652 ' OG ' HD12 ' A' ' 598' ' ' LEU . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.652 HD12 ' OG ' ' A' ' 591' ' ' SER . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . 0.462 HG22 ' OE1' ' A' ' 558' ' ' GLN . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.613 HG21 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 611' ' ' ILE . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.444 ' HA ' HG11 ' A' ' 629' ' ' VAL . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.557 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.779 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.512 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.416 ' CB ' HH21 ' A' ' 565' ' ' ARG . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.779 HD13 HD12 ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 611' ' ' ILE . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.466 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 602' ' ' VAL . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.582 ' OD2' HD12 ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.426 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.582 HD12 ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 574' ' ' LEU . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 570' ' ' GLU . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.418 ' HG3' HG11 ' A' ' 585' ' ' VAL . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 576' ' ' GLN . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 576' ' ' GLN . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 572' ' ' GLN . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' SER . . . . . 0.531 ' OG ' HD12 ' A' ' 598' ' ' LEU . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.743 ' O ' HD13 ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 579' ' ' PHE . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.422 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.664 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.514 ' HA ' HD12 ' A' ' 611' ' ' ILE . 4.5 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.527 ' HA ' HG11 ' A' ' 629' ' ' VAL . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 629' ' ' VAL . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.912 HD13 HD12 ' A' ' 622' ' ' ILE . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 614' ' ' VAL . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.9 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 578' ' ' ALA . . . . . 0.503 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.652 ' HA ' HD12 ' A' ' 611' ' ' ILE . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 608' ' ' GLN . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 610' ' ' ALA . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.672 HD12 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.593 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.685 HD13 HD12 ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.679 HG11 ' CE1' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 598' ' ' LEU . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.486 HD13 HD21 ' A' ' 598' ' ' LEU . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.524 ' HB3' HD11 ' A' ' 590' ' ' LEU . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 570' ' ' GLU . 3.8 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.679 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 576' ' ' GLN . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.445 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 572' ' ' GLN . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 571' ' ' LEU . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 611' ' ' ILE . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 608' ' ' GLN . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.452 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.535 ' HB3' HD11 ' A' ' 627' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.857 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.857 HD13 HD12 ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 617' ' ' LEU . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.508 HD12 ' CA ' ' A' ' 599' ' ' LYS . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.589 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.777 ' HG2' HD11 ' A' ' 590' ' ' LEU . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 585' ' ' VAL . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.614 ' CE1' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' VAL . . . . . 0.597 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.777 HD11 ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 4.3 mm100 -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.508 ' CA ' HD12 ' A' ' 562' ' ' ILE . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 579' ' ' PHE . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 611' ' ' ILE . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 609' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 631' ' ' LEU . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 629' ' ' VAL . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.589 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 622' ' ' ILE . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 611' ' ' ILE . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.659 ' HA ' HD22 ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.654 ' O ' HG21 ' A' ' 585' ' ' VAL . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 580' ' ' ALA . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 577' ' ' GLU . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.549 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 603' ' ' GLN . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 601' ' ' VAL . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 611' ' ' ILE . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.558 ' HA ' HG11 ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 622' ' ' ILE . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 611' ' ' ILE . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.58 HG11 ' CE1' ' A' ' 579' ' ' PHE . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 602' ' ' VAL . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' TYR . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.463 ' OD1' HD21 ' A' ' 571' ' ' LEU . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.407 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.411 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 563' ' ' ASP . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.411 ' CD ' ' HA ' ' A' ' 570' ' ' GLU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 557' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' LYS . . . . . 0.444 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.53 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.475 HG23 HG21 ' A' ' 559' ' ' VAL . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.665 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 610' ' ' ALA . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' ' 629' ' ' VAL . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 611' ' ' ILE . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 564' ' ' TYR . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.5 ' O ' HG21 ' A' ' 585' ' ' VAL . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 557' ' ' VAL . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 576' ' ' GLN . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.556 ' HA ' HD11 ' A' ' 631' ' ' LEU . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 557' ' ' VAL . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.586 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.591 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 611' ' ' ILE . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 623' ' ' GLY . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.569 ' HB3' HD11 ' A' ' 590' ' ' LEU . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.2 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' A' ' 585' ' ' VAL . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.406 ' CE1' ' HG ' ' A' ' 617' ' ' LEU . 34.1 m80 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 576' ' ' GLN . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 572' ' ' GLN . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.479 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 25.6 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 593' ' ' HIS . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 562' ' ' ILE . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 611' ' ' ILE . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 608' ' ' GLN . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.406 ' HG ' ' CE1' ' A' ' 582' ' ' HIS . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.627 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 579' ' ' PHE . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.531 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 598' ' ' LEU . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 563' ' ' ASP . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ARG . . . . . 0.592 ' HB3' HD13 ' A' ' 590' ' ' LEU . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 574' ' ' LEU . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.531 HD22 ' CG2' ' A' ' 562' ' ' ILE . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.687 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 572' ' ' GLN . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' SER . . . . . 0.443 ' HG ' ' C ' ' A' ' 599' ' ' LYS . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 564' ' ' TYR . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 591' ' ' SER . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.716 ' HA ' HD12 ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 629' ' ' VAL . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 629' ' ' VAL . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.522 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 579' ' ' PHE . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.59 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 598' ' ' LEU . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.425 ' O ' ' NE2' ' A' ' 573' ' ' GLN . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 569' ' ' LYS . 3.6 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.411 ' O ' HG21 ' A' ' 585' ' ' VAL . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.449 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 600' ' ' ALA . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 610' ' ' ALA . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.48 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.633 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.734 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.734 HD13 HD12 ' A' ' 622' ' ' ILE . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 614' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.59 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 579' ' ' PHE . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.481 HG21 HG23 ' A' ' 602' ' ' VAL . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.484 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 571' ' ' LEU . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.431 HD11 ' HA2' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 562' ' ' ILE . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.693 ' HB3' HD11 ' A' ' 590' ' ' LEU . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 585' ' ' VAL . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 557' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 576' ' ' GLN . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 572' ' ' GLN . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 598' ' ' LEU . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 593' ' ' HIS . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.54 HG11 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' ASN . . . . . 0.414 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' ASP . . . . . 0.414 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 631' ' ' LEU . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.51 HG22 HG13 ' A' ' 557' ' ' VAL . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.484 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 630' ' ' SER . . . . . 0.487 ' HA ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 611' ' ' ILE . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 579' ' ' PHE . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.522 ' CG1' HD11 ' A' ' 562' ' ' ILE . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.522 HD11 ' CG1' ' A' ' 559' ' ' VAL . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 574' ' ' LEU . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.501 HD22 ' CG2' ' A' ' 562' ' ' ILE . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.445 ' HA ' HG11 ' A' ' 588' ' ' VAL . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 570' ' ' GLU . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' A' ' 617' ' ' LEU . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 572' ' ' GLN . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.474 ' O ' HD13 ' A' ' 598' ' ' LEU . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 593' ' ' HIS . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.69 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 611' ' ' ILE . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 608' ' ' GLN . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 557' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 579' ' ' PHE . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.625 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.772 HD13 HD12 ' A' ' 622' ' ' ILE . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 579' ' ' PHE . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' ASN . . . . . 0.553 ' CG ' ' HZ3' ' A' ' 625' ' ' LYS . 2.1 t-20 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 559' ' ' VAL . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.634 HD11 ' HA2' ' A' ' 623' ' ' GLY . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.925 ' OE1' HG12 ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 617' ' ' LEU . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 605' ' ' GLU . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' VAL . . . . . 0.925 HG12 ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.82 HD11 ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' SER . . . . . 0.498 ' OG ' HD12 ' A' ' 598' ' ' LEU . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.498 HD12 ' OG ' ' A' ' 591' ' ' SER . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.405 ' CD ' ' HG2' ' A' ' 584' ' ' LYS . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' ASN . . . . . 0.431 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.73 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' ASP . . . . . 0.431 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.664 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.585 ' CE2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.632 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.634 ' HA2' HD11 ' A' ' 566' ' ' LEU . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.553 ' HZ3' ' CG ' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.632 HD13 HD12 ' A' ' 622' ' ' ILE . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 557' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.579 ' CG2' HD22 ' A' ' 571' ' ' LEU . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.579 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' GLN . . . . . 0.656 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.7 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 600' ' ' ALA . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 593' ' ' HIS . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' ALA . . . . . 0.768 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 608' ' ' GLN . . . . . 0.715 ' HA ' HD12 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' VAL . . . . . 0.544 ' HA ' HG11 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 579' ' ' PHE . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 620' ' ' TYR . . . . . 0.622 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.636 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 108.1 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 13.0 t -118.78 117.28 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -49.3 156.32 1.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.5 p -48.12 158.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -154.59 112.81 3.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 113.39 -60.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -129.21 159.21 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 113.66 176.36 19.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -135.91 127.25 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.632 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 574' ' ' LEU . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 570' ' ' GLU . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.626 ' HB2' HG21 ' A' ' 588' ' ' VAL . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.632 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 576' ' ' GLN . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 611' ' ' ILE . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 610' ' ' ALA . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.561 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.774 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.774 HD13 HD12 ' A' ' 622' ' ' ILE . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 614' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -127.5 149.65 50.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 32.3 p -135.51 131.97 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -93.64 -147.23 21.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -86.43 -59.98 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 36.7 p -89.46 127.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.83 -174.48 39.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 4.8 m 46.64 46.3 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 27.0 t -99.99 123.21 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 56.8 m -73.35 95.93 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 97.1 p -50.68 135.81 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 107.49 123.14 4.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 54.2 p -157.04 125.73 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.8 t -133.58 133.34 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -140.29 138.37 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 141.16 77.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -94.19 95.35 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.667 ' CD2' HG11 ' A' ' 602' ' ' VAL . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' A' ' 605' ' ' GLU . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG11 ' CD2' ' A' ' 579' ' ' PHE . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.412 ' HG2' ' CD ' ' A' ' 586' ' ' LYS . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 611' ' ' ILE . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 610' ' ' ALA . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 629' ' ' VAL . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.442 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.606 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.787 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.787 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 611' ' ' ILE . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -136.25 157.94 45.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.91 139.45 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -152.37 -62.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -79.2 96.04 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 45.4 p -94.37 41.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -172.41 71.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.06 25.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.3 p -126.73 122.16 34.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.9 p -74.37 -47.39 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 16.1 m -42.96 -58.03 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 79.8 p -116.51 116.3 27.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 106.57 162.8 22.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.3 m -143.94 147.29 33.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 t -103.81 131.94 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -50.98 -68.26 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -106.99 106.69 17.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 178.02 165.93 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -128.87 102.18 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 579' ' ' PHE . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.518 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.518 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.624 ' O ' HG21 ' A' ' 585' ' ' VAL . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 617' ' ' LEU . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 576' ' ' GLN . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 579' ' ' PHE . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 610' ' ' ALA . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 579' ' ' PHE . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.597 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.764 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.764 HD13 HD12 ' A' ' 622' ' ' ILE . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -129.11 173.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.0 t -57.17 158.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 161.07 -78.22 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -66.39 150.41 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.7 m 57.27 49.07 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -86.78 146.19 20.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -20.86 34.59 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.2 t -43.43 -65.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 83.2 p 46.83 43.15 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.52 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 36.2 p -104.55 -54.7 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 58.5 m -129.16 142.41 50.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 137.56 79.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 6.1 t -79.21 110.17 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.386 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.9 m -77.52 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 163.91 -89.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 110.94 8.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -134.55 -168.08 11.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 604' ' ' MET . . . -136.44 124.27 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.406 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 623' ' ' GLY . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.572 ' O ' HD12 ' A' ' 574' ' ' LEU . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 562' ' ' ILE . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 570' ' ' GLU . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.41 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.491 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 579' ' ' PHE . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' MET . . . . . 0.425 ' HB2' ' HB3' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 611' ' ' ILE . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.58 ' HA ' HG11 ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 579' ' ' PHE . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.592 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.587 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 611' ' ' ILE . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.36 118.6 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 21.5 m -50.64 -53.21 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 107.43 135.38 7.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -63.34 129.88 42.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.5 p -142.76 166.66 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -163.54 81.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -33.58 16.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 10.0 t -83.64 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 85.7 p -170.5 168.04 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t -64.62 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -85.94 177.27 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 550' ' ' SER . . . 79.78 -156.55 40.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 549' ' ' GLY . 37.7 m 35.99 41.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 57.9 m -128.94 120.46 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 57.68 41.65 93.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -95.54 -54.38 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -174.67 129.24 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -129.93 106.51 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.805 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.534 HG21 HG23 ' A' ' 602' ' ' VAL . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.631 ' CG2' HD22 ' A' ' 571' ' ' LEU . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.631 HD22 ' CG2' ' A' ' 562' ' ' ILE . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.668 ' O ' HG21 ' A' ' 585' ' ' VAL . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.805 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 576' ' ' GLN . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 572' ' ' GLN . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.482 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 562' ' ' ILE . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.534 HG23 HG21 ' A' ' 559' ' ' VAL . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.695 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.555 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 629' ' ' VAL . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.813 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 631' ' ' LEU . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -149.35 138.3 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 1.2 t -141.06 160.0 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.33 -101.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -67.23 135.93 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 75.7 p -105.68 -47.68 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 69.39 -174.95 33.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.95 55.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 68.3 p -139.65 170.46 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.8 m -94.07 -60.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 64.2 m -86.37 117.96 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.3 m -120.33 130.63 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -85.71 75.12 2.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 32.7 p -125.11 141.87 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 p -130.21 -58.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -49.86 -90.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -44.92 104.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 168.92 -165.03 38.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -140.23 112.33 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.462 ' OE1' HG22 ' A' ' 601' ' ' VAL . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.512 HD11 ' CA ' ' A' ' 623' ' ' GLY . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.578 ' O ' HD12 ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.667 ' HB3' HD11 ' A' ' 590' ' ' LEU . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 570' ' ' GLU . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.613 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 572' ' ' GLN . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.652 ' OG ' HD12 ' A' ' 598' ' ' LEU . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.652 HD12 ' OG ' ' A' ' 591' ' ' SER . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . 0.462 HG22 ' OE1' ' A' ' 558' ' ' GLN . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.613 HG21 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 611' ' ' ILE . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.444 ' HA ' HG11 ' A' ' 629' ' ' VAL . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.557 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.779 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.512 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.416 ' CB ' HH21 ' A' ' 565' ' ' ARG . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.779 HD13 HD12 ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 611' ' ' ILE . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -125.38 127.68 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 30.3 p -58.94 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -106.21 -148.9 16.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -56.62 155.26 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 2.1 t -106.41 42.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 41.82 -158.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 21.8 m -78.05 108.72 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.6 t -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.9 t -140.35 163.78 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 -52.97 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 89.13 170.48 45.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 58.8 p -117.83 91.61 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.1 m -72.69 111.61 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 133.66 -95.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.06 112.88 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 142.76 132.77 2.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.25 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.466 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 602' ' ' VAL . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.582 ' OD2' HD12 ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.582 HD12 ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 574' ' ' LEU . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 570' ' ' GLU . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.418 ' HG3' HG11 ' A' ' 585' ' ' VAL . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 576' ' ' GLN . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 576' ' ' GLN . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 572' ' ' GLN . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.531 ' OG ' HD12 ' A' ' 598' ' ' LEU . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.743 ' O ' HD13 ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 579' ' ' PHE . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.422 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.664 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.514 ' HA ' HD12 ' A' ' 611' ' ' ILE . 4.5 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.527 ' HA ' HG11 ' A' ' 629' ' ' VAL . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 629' ' ' VAL . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.912 HD13 HD12 ' A' ' 622' ' ' ILE . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 614' ' ' VAL . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -133.71 141.12 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 82.7 p -55.49 174.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 175.61 52.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -174.02 142.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 6.4 t -115.31 82.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 133.62 83.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.5 m -49.69 138.65 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.0 t -64.48 106.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 45.0 m -84.12 -54.19 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.6 m -52.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -135.68 97.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 41.4 m -126.77 117.82 23.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.7 t -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 116.17 107.63 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 553' ' ' ASN . 5.4 p30 -145.9 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.79 32.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -147.35 141.65 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.9 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 578' ' ' ALA . . . . . 0.503 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.652 ' HA ' HD12 ' A' ' 611' ' ' ILE . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 608' ' ' GLN . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 610' ' ' ALA . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.672 HD12 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.593 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.685 HD13 HD12 ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -127.77 133.4 49.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 34.4 p -50.65 128.09 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -122.21 -59.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -158.77 132.5 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 83.9 p -140.24 149.97 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -118.69 157.17 15.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.55 7.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 55.6 p -164.82 129.69 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 3.9 t -74.02 111.57 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 69.8 p -76.94 139.9 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 9.6 t -173.02 130.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -56.97 151.98 24.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 68.8 m -65.76 119.45 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.3 t -148.21 159.37 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -148.94 118.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -109.65 -50.41 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 156.84 -171.88 34.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.69 118.54 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.679 HG11 ' CE1' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 598' ' ' LEU . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.486 HD13 HD21 ' A' ' 598' ' ' LEU . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.524 ' HB3' HD11 ' A' ' 590' ' ' LEU . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 570' ' ' GLU . 3.8 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.679 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 576' ' ' GLN . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.445 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 572' ' ' GLN . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 571' ' ' LEU . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 611' ' ' ILE . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 608' ' ' GLN . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.452 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.535 ' HB3' HD11 ' A' ' 627' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.857 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.857 HD13 HD12 ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 617' ' ' LEU . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -124.99 121.84 35.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 11.8 t -130.07 133.44 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 145.38 89.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -117.55 -46.02 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 17.5 t -157.23 115.31 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.27 2.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 15.7 p -65.87 124.49 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.2 p -110.6 80.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 m -58.5 156.48 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -115.85 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.95 79.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.9 t -45.32 99.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 60.1 p -166.21 137.41 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -178.58 -46.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.25 149.39 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 154.76 96.18 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -137.95 121.77 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.508 HD12 ' CA ' ' A' ' 599' ' ' LYS . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.589 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.777 ' HG2' HD11 ' A' ' 590' ' ' LEU . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 585' ' ' VAL . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.614 ' CE1' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.597 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.777 HD11 ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 4.3 mm100 -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.508 ' CA ' HD12 ' A' ' 562' ' ' ILE . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 579' ' ' PHE . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 611' ' ' ILE . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 631' ' ' LEU . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 629' ' ' VAL . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.589 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 622' ' ' ILE . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 611' ' ' ILE . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.74 159.85 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 8.9 t -109.75 135.81 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -120.3 83.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.57 130.66 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 38.3 t -123.27 155.97 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 73.89 145.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 67.6 m -147.34 178.35 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 66.0 m -73.35 151.14 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.3 m -121.9 -45.81 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 m -88.88 81.48 6.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -47.91 130.1 17.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 1.5 t -75.82 91.53 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 97.1 p -39.76 149.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -129.26 95.88 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.41 41.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 99.04 -171.08 24.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -142.64 112.1 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.659 ' HA ' HD22 ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.654 ' O ' HG21 ' A' ' 585' ' ' VAL . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 580' ' ' ALA . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 577' ' ' GLU . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.549 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 603' ' ' GLN . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 601' ' ' VAL . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 611' ' ' ILE . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.558 ' HA ' HG11 ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 622' ' ' ILE . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 611' ' ' ILE . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -122.14 159.44 27.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.1 t -127.7 133.07 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -100.55 -129.63 6.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -80.65 98.96 7.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 25.4 m -114.3 100.68 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -137.33 83.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.69 59.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 95.0 p -125.37 -44.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.3 t -146.95 141.48 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 67.3 m -61.42 150.47 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 43.1 m -56.85 116.66 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.08 67.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 16.5 t 64.78 39.78 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 85.6 p -94.97 151.16 19.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -169.07 103.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -125.29 112.51 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 114.23 83.37 1.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -100.39 117.11 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.58 HG11 ' CE1' ' A' ' 579' ' ' PHE . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 602' ' ' VAL . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' TYR . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.463 ' OD1' HD21 ' A' ' 571' ' ' LEU . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.407 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.411 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 563' ' ' ASP . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.411 ' CD ' ' HA ' ' A' ' 570' ' ' GLU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 557' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' LYS . . . . . 0.444 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.53 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.475 HG23 HG21 ' A' ' 559' ' ' VAL . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.665 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 610' ' ' ALA . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' ' 629' ' ' VAL . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 611' ' ' ILE . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -135.8 -177.45 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 51.7 p -76.26 141.28 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -80.47 175.79 54.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -85.84 123.93 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 5.6 m 58.15 25.27 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.46 152.58 27.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.21 13.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.1 t -53.18 -50.75 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 29.6 t -94.88 168.7 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 53.7 m -56.35 -51.81 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 45.0 t -98.71 103.98 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.42 49.03 0.94 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 24.8 m -84.07 165.53 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 33.3 m -43.63 145.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.21 52.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -74.29 114.81 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -99.76 -104.29 2.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -146.45 126.98 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 564' ' ' TYR . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.5 ' O ' HG21 ' A' ' 585' ' ' VAL . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 557' ' ' VAL . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 576' ' ' GLN . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.556 ' HA ' HD11 ' A' ' 631' ' ' LEU . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 557' ' ' VAL . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.586 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.591 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 611' ' ' ILE . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -132.99 163.35 29.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 97.9 m -99.68 104.86 16.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -63.64 -66.49 2.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -132.66 145.03 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 67.7 m -106.89 124.96 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 152.01 83.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 164.18 35.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.9 m -162.19 167.42 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 4.7 t -168.73 116.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 75.0 m -158.89 131.18 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 23.2 t -140.37 156.74 46.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -154.53 -40.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 14.7 m -38.84 133.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.7 t -88.5 132.13 34.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 94.09 55.8 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -79.68 113.66 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -108.69 -139.82 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -121.57 126.84 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 623' ' ' GLY . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.569 ' HB3' HD11 ' A' ' 590' ' ' LEU . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.2 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' A' ' 585' ' ' VAL . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.406 ' CE1' ' HG ' ' A' ' 617' ' ' LEU . 34.1 m80 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 576' ' ' GLN . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 572' ' ' GLN . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.479 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 25.6 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 593' ' ' HIS . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 562' ' ' ILE . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 611' ' ' ILE . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 608' ' ' GLN . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.406 ' HG ' ' CE1' ' A' ' 582' ' ' HIS . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.627 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -131.03 173.37 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 73.4 p -50.78 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.1 -108.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -133.28 109.99 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 49.6 m -49.29 135.24 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -164.6 87.58 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.11 27.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.8 t -76.9 128.71 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 8.1 m -116.03 158.68 22.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.0 m -124.57 -53.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 21.9 t -128.78 161.87 28.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 138.09 98.86 0.47 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 29.5 t -133.45 139.36 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.1 p -52.96 -48.6 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 83.56 100.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -87.17 -57.89 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 173.62 -160.58 30.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -145.64 121.29 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 579' ' ' PHE . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.531 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 598' ' ' LEU . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 563' ' ' ASP . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ARG . . . . . 0.592 ' HB3' HD13 ' A' ' 590' ' ' LEU . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 574' ' ' LEU . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.531 HD22 ' CG2' ' A' ' 562' ' ' ILE . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.687 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 572' ' ' GLN . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.443 ' HG ' ' C ' ' A' ' 599' ' ' LYS . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 564' ' ' TYR . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 591' ' ' SER . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.716 ' HA ' HD12 ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 629' ' ' VAL . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 629' ' ' VAL . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.522 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -133.24 137.44 46.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.9 t -162.81 142.36 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.6 -90.77 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -164.76 168.48 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 50.4 m -115.58 -49.69 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -171.9 86.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.8 m -66.46 101.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 70.2 p -44.57 118.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.5 p -68.17 -51.88 40.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 89.4 p -123.74 138.37 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.24 113.75 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.3 m -105.31 -50.94 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 83.9 p -92.05 127.06 37.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 553' ' ' ASN . . . 115.57 -138.96 15.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 552' ' ' GLY . 48.1 t30 36.83 42.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -165.55 -165.99 23.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.91 104.18 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 579' ' ' PHE . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.59 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 598' ' ' LEU . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.425 ' O ' ' NE2' ' A' ' 573' ' ' GLN . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 569' ' ' LYS . 3.6 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.411 ' O ' HG21 ' A' ' 585' ' ' VAL . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.449 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 600' ' ' ALA . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 610' ' ' ALA . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.48 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.633 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.734 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.734 HD13 HD12 ' A' ' 622' ' ' ILE . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 614' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.59 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -127.94 135.68 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 17.6 m -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -123.2 73.45 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -125.9 136.13 52.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.2 m -89.93 154.29 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 638' ' ' PRO . . . -68.46 -59.74 5.97 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 637' ' ' GLY . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.9 m -110.08 133.28 53.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.2 p -62.79 168.61 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 p -46.99 123.33 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.2 m -129.78 95.83 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 142.53 -165.02 26.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.4 t -86.03 136.25 33.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 34.1 m -104.12 151.91 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 96.17 69.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -104.78 113.18 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 68.36 -114.71 6.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -133.89 107.02 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 579' ' ' PHE . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.481 HG21 HG23 ' A' ' 602' ' ' VAL . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.484 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 571' ' ' LEU . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.431 HD11 ' HA2' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 562' ' ' ILE . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.693 ' HB3' HD11 ' A' ' 590' ' ' LEU . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 585' ' ' VAL . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 557' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 576' ' ' GLN . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 572' ' ' GLN . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 598' ' ' LEU . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 593' ' ' HIS . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.54 HG11 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' ASN . . . . . 0.414 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ASP . . . . . 0.414 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 631' ' ' LEU . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.51 HG22 HG13 ' A' ' 557' ' ' VAL . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.484 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' SER . . . . . 0.487 ' HA ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 611' ' ' ILE . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -123.94 114.78 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 12.6 t -106.65 164.33 12.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -96.01 -141.75 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -58.97 148.67 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.0 p -45.29 -47.26 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 81.69 150.87 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 120.72 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 57.2 p -69.96 149.8 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.7 m 56.98 42.02 26.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 m -101.65 134.84 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 32.1 t -72.63 85.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -112.59 -97.28 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 8.3 t -93.66 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.6 t -61.76 160.6 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 65.48 122.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -124.91 39.43 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 81.53 -131.18 10.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -149.17 119.49 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 579' ' ' PHE . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.522 ' CG1' HD11 ' A' ' 562' ' ' ILE . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.522 HD11 ' CG1' ' A' ' 559' ' ' VAL . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 574' ' ' LEU . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.501 HD22 ' CG2' ' A' ' 562' ' ' ILE . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.445 ' HA ' HG11 ' A' ' 588' ' ' VAL . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 570' ' ' GLU . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' A' ' 617' ' ' LEU . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 572' ' ' GLN . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.474 ' O ' HD13 ' A' ' 598' ' ' LEU . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 593' ' ' HIS . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.69 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 611' ' ' ILE . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 608' ' ' GLN . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 557' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 579' ' ' PHE . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.625 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.772 HD13 HD12 ' A' ' 622' ' ' ILE . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.8 161.33 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 33.3 p -109.29 133.85 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 635' ' ' ALA . . . -87.29 178.85 47.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 634' ' ' GLY . . . -37.18 -56.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 34.4 p -80.66 169.36 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -152.76 67.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.57 45.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 96.8 p -103.13 139.96 37.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.1 p -124.39 174.2 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t 57.26 44.16 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.6 t -61.0 132.29 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.96 -43.56 8.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 50.5 m -44.26 112.43 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.0 t -53.27 116.83 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -44.13 114.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -127.94 -44.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -98.2 -134.92 8.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -113.63 114.56 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 579' ' ' PHE . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ASN . . . . . 0.553 ' CG ' ' HZ3' ' A' ' 625' ' ' LYS . 2.1 t-20 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 559' ' ' VAL . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.634 HD11 ' HA2' ' A' ' 623' ' ' GLY . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.925 ' OE1' HG12 ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 617' ' ' LEU . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 605' ' ' GLU . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.925 HG12 ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.82 HD11 ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.498 ' OG ' HD12 ' A' ' 598' ' ' LEU . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.498 HD12 ' OG ' ' A' ' 591' ' ' SER . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.405 ' CD ' ' HG2' ' A' ' 584' ' ' LYS . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' ASN . . . . . 0.431 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.73 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ASP . . . . . 0.431 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.664 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.585 ' CE2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.632 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.634 ' HA2' HD11 ' A' ' 566' ' ' LEU . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.553 ' HZ3' ' CG ' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.632 HD13 HD12 ' A' ' 622' ' ' ILE . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -136.12 154.52 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.2 t -54.19 132.96 44.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -119.15 -96.13 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.49 105.1 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.4 t -48.39 157.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -51.72 146.07 13.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 31.9 m 53.91 41.35 32.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.5 m 64.45 42.29 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.8 p 44.47 42.09 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 92.9 p -100.87 139.72 36.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 157.29 -161.52 31.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.4 p -121.18 135.58 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 110.826 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.6 m -129.73 121.48 26.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -149.97 96.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.65 121.44 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 161.01 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -109.94 110.79 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 557' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.579 ' CG2' HD22 ' A' ' 571' ' ' LEU . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.579 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' GLN . . . . . 0.656 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.7 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 600' ' ' ALA . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 593' ' ' HIS . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' ALA . . . . . 0.768 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 608' ' ' GLN . . . . . 0.715 ' HA ' HD12 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' VAL . . . . . 0.544 ' HA ' HG11 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 579' ' ' PHE . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' TYR . . . . . 0.622 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.636 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -121.47 -179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 96.4 m -108.42 100.14 9.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -130.72 -92.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.91 103.73 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 95.6 p -157.2 129.96 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 122.79 84.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.27 37.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.4 m 39.81 53.97 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.8 t -81.07 149.1 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.632 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 574' ' ' LEU . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 570' ' ' GLU . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.626 ' HB2' HG21 ' A' ' 588' ' ' VAL . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.632 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 576' ' ' GLN . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 611' ' ' ILE . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 610' ' ' ALA . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.561 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.774 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.774 HD13 HD12 ' A' ' 622' ' ' ILE . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 614' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.667 ' CD2' HG11 ' A' ' 602' ' ' VAL . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.412 ' CE1' ' CB ' ' A' ' 616' ' ' SER . 90.6 m-70 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' A' ' 605' ' ' GLU . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG11 ' CD2' ' A' ' 579' ' ' PHE . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.412 ' HG2' ' CD ' ' A' ' 586' ' ' LYS . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 611' ' ' ILE . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 610' ' ' ALA . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . 0.412 ' CB ' ' CE1' ' A' ' 582' ' ' HIS . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 629' ' ' VAL . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.442 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.606 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.787 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.787 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 611' ' ' ILE . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 579' ' ' PHE . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.518 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.518 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.624 ' O ' HG21 ' A' ' 585' ' ' VAL . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 617' ' ' LEU . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 576' ' ' GLN . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 579' ' ' PHE . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 610' ' ' ALA . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 579' ' ' PHE . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.597 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.764 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.764 HD13 HD12 ' A' ' 622' ' ' ILE . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 604' ' ' MET . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.406 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 623' ' ' GLY . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.572 ' O ' HD12 ' A' ' 574' ' ' LEU . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 562' ' ' ILE . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 570' ' ' GLU . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.41 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.491 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 579' ' ' PHE . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . 0.425 ' HB2' ' HB3' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 611' ' ' ILE . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.58 ' HA ' HG11 ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 579' ' ' PHE . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.592 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.587 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 611' ' ' ILE . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.805 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.534 HG21 HG23 ' A' ' 602' ' ' VAL . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.631 ' CG2' HD22 ' A' ' 571' ' ' LEU . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.631 HD22 ' CG2' ' A' ' 562' ' ' ILE . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.668 ' O ' HG21 ' A' ' 585' ' ' VAL . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.805 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 576' ' ' GLN . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 572' ' ' GLN . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.482 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 562' ' ' ILE . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.534 HG23 HG21 ' A' ' 559' ' ' VAL . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.695 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.555 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 629' ' ' VAL . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.813 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 631' ' ' LEU . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.462 ' OE1' HG22 ' A' ' 601' ' ' VAL . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.512 HD11 ' CA ' ' A' ' 623' ' ' GLY . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.578 ' O ' HD12 ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.667 ' HB3' HD11 ' A' ' 590' ' ' LEU . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 570' ' ' GLU . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.613 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 572' ' ' GLN . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . 0.652 ' OG ' HD12 ' A' ' 598' ' ' LEU . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.652 HD12 ' OG ' ' A' ' 591' ' ' SER . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . 0.462 HG22 ' OE1' ' A' ' 558' ' ' GLN . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.613 HG21 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 611' ' ' ILE . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.444 ' HA ' HG11 ' A' ' 629' ' ' VAL . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.557 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.779 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.512 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.416 ' CB ' HH21 ' A' ' 565' ' ' ARG . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.779 HD13 HD12 ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 611' ' ' ILE . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.466 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 602' ' ' VAL . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.582 ' OD2' HD12 ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.426 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.582 HD12 ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 574' ' ' LEU . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 570' ' ' GLU . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.418 ' HG3' HG11 ' A' ' 585' ' ' VAL . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 576' ' ' GLN . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 576' ' ' GLN . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 572' ' ' GLN . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . 0.531 ' OG ' HD12 ' A' ' 598' ' ' LEU . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.743 ' O ' HD13 ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 579' ' ' PHE . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.422 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.514 ' HA ' HD12 ' A' ' 611' ' ' ILE . 2.4 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.527 ' HA ' HG11 ' A' ' 629' ' ' VAL . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 629' ' ' VAL . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.477 ' N ' ' HE3' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.912 HD13 HD12 ' A' ' 622' ' ' ILE . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 614' ' ' VAL . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.9 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . 0.503 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.652 ' HA ' HD12 ' A' ' 611' ' ' ILE . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 608' ' ' GLN . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 610' ' ' ALA . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.672 HD12 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.593 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.685 HD13 HD12 ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.679 HG11 ' CE1' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 598' ' ' LEU . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.43 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.486 HD13 HD21 ' A' ' 598' ' ' LEU . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.524 ' HB3' HD11 ' A' ' 590' ' ' LEU . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 15.6 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.679 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 576' ' ' GLN . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.445 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 572' ' ' GLN . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 571' ' ' LEU . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 611' ' ' ILE . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 608' ' ' GLN . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.452 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.535 ' HB3' HD11 ' A' ' 627' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.857 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.857 HD13 HD12 ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 617' ' ' LEU . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.508 HD12 ' CA ' ' A' ' 599' ' ' LYS . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.589 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.777 ' HG2' HD11 ' A' ' 590' ' ' LEU . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 585' ' ' VAL . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.614 ' CE1' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . 0.597 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.777 HD11 ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 0.8 OUTLIER -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.508 ' CA ' HD12 ' A' ' 562' ' ' ILE . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 579' ' ' PHE . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 611' ' ' ILE . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 631' ' ' LEU . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 629' ' ' VAL . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.589 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 622' ' ' ILE . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 611' ' ' ILE . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.659 ' HA ' HD22 ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.654 ' O ' HG21 ' A' ' 585' ' ' VAL . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 580' ' ' ALA . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 577' ' ' GLU . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.549 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 603' ' ' GLN . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 601' ' ' VAL . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 611' ' ' ILE . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.558 ' HA ' HG11 ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 622' ' ' ILE . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 611' ' ' ILE . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.58 HG11 ' CE1' ' A' ' 579' ' ' PHE . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 602' ' ' VAL . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' TYR . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.463 ' OD1' HD21 ' A' ' 571' ' ' LEU . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.407 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.411 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 563' ' ' ASP . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.411 ' CD ' ' HA ' ' A' ' 570' ' ' GLU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 557' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . 0.444 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.53 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.475 HG23 HG21 ' A' ' 559' ' ' VAL . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.665 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 610' ' ' ALA . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' ' 629' ' ' VAL . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.481 ' HE2' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 611' ' ' ILE . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 564' ' ' TYR . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.5 ' O ' HG21 ' A' ' 585' ' ' VAL . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 557' ' ' VAL . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 576' ' ' GLN . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.556 ' HA ' HD11 ' A' ' 631' ' ' LEU . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 557' ' ' VAL . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.586 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.591 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 611' ' ' ILE . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.478 ' ND2' ' HB3' ' A' ' 625' ' ' LYS . 0.2 OUTLIER 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 623' ' ' GLY . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.569 ' HB3' HD11 ' A' ' 590' ' ' LEU . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 6.0 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' A' ' 585' ' ' VAL . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 82.7 m-70 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 576' ' ' GLN . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 572' ' ' GLN . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.479 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 23.7 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 593' ' ' HIS . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 562' ' ' ILE . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 611' ' ' ILE . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 608' ' ' GLN . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.627 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.478 ' HB3' ' ND2' ' A' ' 561' ' ' ASN . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 579' ' ' PHE . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.531 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 598' ' ' LEU . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 563' ' ' ASP . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . 0.592 ' HB3' HD13 ' A' ' 590' ' ' LEU . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 574' ' ' LEU . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.531 HD22 ' CG2' ' A' ' 562' ' ' ILE . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.687 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 572' ' ' GLN . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . 0.443 ' HG ' ' C ' ' A' ' 599' ' ' LYS . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 564' ' ' TYR . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 591' ' ' SER . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.716 ' HA ' HD12 ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 629' ' ' VAL . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 629' ' ' VAL . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.522 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 579' ' ' PHE . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.59 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 598' ' ' LEU . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 16.9 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.411 ' O ' HG21 ' A' ' 585' ' ' VAL . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.449 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 600' ' ' ALA . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 610' ' ' ALA . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.48 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.633 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.734 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.734 HD13 HD12 ' A' ' 622' ' ' ILE . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 614' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.59 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 579' ' ' PHE . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.481 HG21 HG23 ' A' ' 602' ' ' VAL . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.484 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 571' ' ' LEU . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.431 HD11 ' HA2' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 562' ' ' ILE . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.693 ' HB3' HD11 ' A' ' 590' ' ' LEU . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 585' ' ' VAL . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 557' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 576' ' ' GLN . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 572' ' ' GLN . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 598' ' ' LEU . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 593' ' ' HIS . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.54 HG11 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . 0.414 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . 0.414 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 631' ' ' LEU . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.51 HG22 HG13 ' A' ' 557' ' ' VAL . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.484 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . 0.487 ' HA ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 611' ' ' ILE . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 579' ' ' PHE . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.522 ' CG1' HD11 ' A' ' 562' ' ' ILE . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.522 HD11 ' CG1' ' A' ' 559' ' ' VAL . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 574' ' ' LEU . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.501 HD22 ' CG2' ' A' ' 562' ' ' ILE . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.445 ' HA ' HG11 ' A' ' 588' ' ' VAL . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 570' ' ' GLU . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' A' ' 617' ' ' LEU . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 572' ' ' GLN . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.474 ' O ' HD13 ' A' ' 598' ' ' LEU . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 593' ' ' HIS . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.69 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 611' ' ' ILE . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 608' ' ' GLN . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 557' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 579' ' ' PHE . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.625 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.772 HD13 HD12 ' A' ' 622' ' ' ILE . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 579' ' ' PHE . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . 0.545 ' ND2' ' NZ ' ' A' ' 625' ' ' LYS . 2.3 t30 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 559' ' ' VAL . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.634 HD11 ' HA2' ' A' ' 623' ' ' GLY . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.925 ' OE1' HG12 ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 617' ' ' LEU . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 605' ' ' GLU . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . 0.925 HG12 ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.82 HD11 ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . 0.498 ' OG ' HD12 ' A' ' 598' ' ' LEU . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.498 HD12 ' OG ' ' A' ' 591' ' ' SER . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.405 ' CD ' ' HG2' ' A' ' 584' ' ' LYS . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . 0.431 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.73 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . 0.431 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.664 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.585 ' CE2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.632 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.634 ' HA2' HD11 ' A' ' 566' ' ' LEU . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.545 ' NZ ' ' ND2' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.632 HD13 HD12 ' A' ' 622' ' ' ILE . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.579 ' CG2' HD22 ' A' ' 571' ' ' LEU . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.579 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' GLN . . . . . 0.656 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.5 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 600' ' ' ALA . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 593' ' ' HIS . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' ALA . . . . . 0.768 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . 0.715 ' HA ' HD12 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' VAL . . . . . 0.544 ' HA ' HG11 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 579' ' ' PHE . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' TYR . . . . . 0.622 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 625' ' ' LYS . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.636 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 108.1 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 13.0 t -118.78 117.28 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -49.3 156.32 1.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.5 p -48.12 158.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -154.59 112.81 3.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 113.39 -60.05 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -129.21 159.21 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 113.66 176.36 19.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -135.91 127.25 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -114.97 115.69 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.632 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 87.6 t -101.44 108.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -77.34 118.88 20.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.4 t -109.58 131.63 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.5 m -133.84 167.08 21.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.94 38.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 32.7 mt -84.11 128.24 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.59 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -58.99 -32.93 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -43.66 -41.45 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.1 mt -73.66 145.26 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 14.2 m -63.13 154.88 29.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -62.91 -32.8 74.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -75.1 -31.58 61.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 574' ' ' LEU . 12.7 tp10 -78.54 -20.33 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.5 mt -90.08 -61.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 8.0 pt20 -85.94 -43.78 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 570' ' ' GLU . 29.1 mt -65.98 -47.33 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.18 -51.06 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.626 ' HB2' HG21 ' A' ' 588' ' ' VAL . 41.8 tt0 -57.86 -34.26 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.89 -54.52 37.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.91 -59.45 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.632 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 31.3 m-85 -52.33 -36.61 53.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.56 91.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -55.77 -27.29 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -87.4 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -131.78 -129.92 3.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -122.64 110.59 15.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.9 t -67.71 122.9 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -80.89 -58.03 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 79.5 p -154.69 164.2 39.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 576' ' ' GLN . 91.8 t -131.48 114.37 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 15.4 mm-40 -110.12 147.05 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.52 148.47 43.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 152.6 75.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.691 0.757 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -69.84 134.23 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 35.4 p -116.27 37.66 3.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 597' ' ' GLN . 5.9 m-20 -147.0 -178.41 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -42.29 -24.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.1 mt-30 -86.81 37.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 12.8 tp -87.18 110.37 20.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -106.93 -179.11 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.87 168.25 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 76.5 t -135.76 111.55 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 84.7 t -92.61 109.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -79.76 133.75 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -115.8 144.08 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.1 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -96.61 150.31 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -69.27 -59.09 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 611' ' ' ILE . 74.0 mt-30 -47.91 -50.68 26.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -42.5 -37.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.06 -50.28 29.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -38.29 -63.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.26 -45.58 90.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.34 -32.71 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 610' ' ' ALA . 84.9 t -74.47 -56.91 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -64.97 -14.84 61.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 69.1 m -92.07 -59.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.561 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 96.3 mt -67.92 -8.75 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -45.58 123.8 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 61.16 33.52 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.2 t80 -62.12 112.27 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.9 tmtm? -54.2 87.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.774 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -111.25 156.45 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.486 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.38 -114.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.0 t -121.46 15.58 11.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -147.97 151.44 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 122.31 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.774 HD13 HD12 ' A' ' 622' ' ' ILE . 24.6 pt -82.15 134.43 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.27 110.19 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 614' ' ' VAL . 3.0 t -86.46 145.98 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 14.1 m -162.57 130.99 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.31 165.93 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -127.5 149.65 50.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 32.3 p -135.51 131.97 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -93.64 -147.23 21.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -86.43 -59.98 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.329 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 36.7 p -89.46 127.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -76.83 -174.48 39.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 4.8 m 46.64 46.3 14.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 27.0 t -99.99 123.21 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 56.8 m -73.35 95.93 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 97.1 p -50.68 135.81 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 107.49 123.14 4.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 54.2 p -157.04 125.73 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.8 t -133.58 133.34 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -140.29 138.37 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 141.16 77.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -94.19 95.35 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.49 108.9 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 38.3 t -96.03 108.9 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -76.78 119.22 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 59.9 t -112.03 137.67 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.96 168.27 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.47 38.67 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.69 126.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -58.42 101.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 565' ' ' ARG . 11.7 p90 -60.11 -39.38 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.4 mtm180 -36.89 -55.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.0 149.41 19.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 3.2 m -69.19 135.14 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -38.03 -51.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 574' ' ' LEU . 21.9 tt0 -62.82 -21.44 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 39.5 mt -84.5 -66.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 573' ' ' GLN . 14.1 pt20 -47.69 -43.82 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 572' ' ' GLN . 6.3 pt20 -61.26 -43.77 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 570' ' ' GLU . 28.4 mt -63.97 -57.35 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 49.2 mt -45.56 -47.75 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -57.83 -40.16 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.9 -42.17 98.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.36 -50.69 66.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.667 ' CD2' HG11 ' A' ' 602' ' ' VAL . 38.0 m-85 -63.92 -29.62 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.29 -29.87 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 -66.38 -16.96 64.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.412 ' CE1' ' CB ' ' A' ' 616' ' ' SER . 90.6 m-70 -99.0 -58.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.12 -127.57 2.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -124.95 113.54 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.02 119.1 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . 0.412 ' CD ' ' HG2' ' A' ' 605' ' ' GLU . 24.4 tptt -78.23 -51.2 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.5 t -160.5 167.28 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 98.8 t -139.71 115.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -106.8 147.25 29.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.19 146.85 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.8 m -81.24 152.28 70.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -10.84 29.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -66.65 122.19 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 11.6 t -104.89 27.41 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 597' ' ' GLN . 67.1 m-20 -134.29 178.04 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -39.55 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.7 mt-30 -83.35 37.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.7 tp -86.72 119.95 27.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -120.1 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.12 169.5 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.79 107.31 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG11 ' CD2' ' A' ' 579' ' ' PHE . 85.2 t -87.9 112.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -86.27 125.78 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.71 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.412 ' HG2' ' CD ' ' A' ' 586' ' ' LYS . 59.5 mt-10 -56.52 -54.56 44.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -93.01 143.72 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 607' ' ' LEU . 0.6 OUTLIER -65.97 -59.06 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 611' ' ' ILE . 55.3 tt0 -51.12 -52.23 45.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -40.3 -34.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -75.16 -52.25 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.0 mt -36.14 -62.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.35 -44.57 93.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.96 -27.68 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 610' ' ' ALA . 93.1 t -78.01 -60.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.97 -15.9 57.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . 0.412 ' CB ' ' CE1' ' A' ' 582' ' ' HIS . 57.7 m -90.59 -58.89 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.529 ' HB2' HG21 ' A' ' 629' ' ' VAL . 78.2 mt -69.39 -8.67 48.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -45.34 124.13 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.442 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 13.0 mmt85 61.52 35.01 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.606 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -63.37 112.13 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -53.21 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.787 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -116.05 157.04 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.41 -114.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.457 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 1.8 m -121.13 9.07 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -139.39 149.36 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -85.34 107.97 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.787 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -67.71 136.08 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 14.7 mt -107.87 113.47 26.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -90.15 146.45 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 69.0 m -160.52 139.22 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 611' ' ' ILE . 60.4 mt -72.29 167.51 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -136.25 157.94 45.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.91 139.45 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -152.37 -62.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -79.2 96.04 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 45.4 p -94.37 41.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -172.41 71.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.06 25.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.3 p -126.73 122.16 34.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.9 p -74.37 -47.39 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 16.1 m -42.96 -58.03 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 79.8 p -116.51 116.3 27.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 106.57 162.8 22.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.3 m -143.94 147.29 33.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.811 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 t -103.81 131.94 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -50.98 -68.26 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -106.99 106.69 17.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 178.02 165.93 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -128.87 102.18 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.2 OUTLIER -92.3 120.03 32.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 579' ' ' PHE . 26.4 t -102.07 107.49 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -73.69 118.45 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.12 124.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -130.26 167.78 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.89 42.48 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.518 ' CG2' HD22 ' A' ' 571' ' ' LEU . 35.9 mt -89.8 122.98 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.51 94.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -56.04 -26.98 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -44.21 -53.11 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.17 168.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 570' ' ' GLU . 21.6 m -84.29 130.3 34.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -39.38 -56.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -55.23 -33.11 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 567' ' ' SER . 16.9 tt0 -81.9 -17.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.518 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.6 mt -85.99 -41.69 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.21 -37.71 86.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 13.2 pt20 -69.76 -45.79 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 41.1 mt -59.91 -56.89 16.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 65.8 mt -48.59 -51.79 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.624 ' O ' HG21 ' A' ' 585' ' ' VAL . 10.8 tt0 -55.63 -41.31 73.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -59.9 -50.63 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.73 -52.28 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.636 ' CE1' HD12 ' A' ' 617' ' ' LEU . 40.3 m-85 -62.7 -31.31 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.93 96.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 12.0 mtp-105 -55.32 -17.47 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -94.62 -62.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -132.87 -125.06 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -127.84 103.19 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 576' ' ' GLN . 91.1 t -61.23 121.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -80.25 -59.55 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.8 p -151.85 170.39 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 71.8 t -134.13 122.24 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 4.9 mm-40 -111.0 141.14 44.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 41.3 mt -116.91 147.23 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 12.8 m -85.87 152.05 55.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.97 19.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -74.93 133.81 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.8 t -116.68 25.57 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -130.63 -175.12 3.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 54.6 p90 -47.31 -20.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.434 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 5.2 mt-30 -88.66 31.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.16 133.71 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -133.01 -179.84 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.59 168.6 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.54 110.4 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 579' ' ' PHE . 92.2 t -94.6 110.81 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -80.7 140.38 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.1 mtp -120.53 145.64 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.61 -58.63 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -95.08 149.26 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -68.83 -58.06 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -49.22 -50.64 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -43.38 -36.5 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.43 -49.32 34.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.4 mt -39.5 -62.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.11 83.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.47 -32.3 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 610' ' ' ALA . 90.8 t -73.23 -66.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -53.76 -21.04 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -88.11 -59.78 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.636 HD12 ' CE1' ' A' ' 579' ' ' PHE . 66.4 mt -65.96 -12.75 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -45.89 124.39 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.466 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 27.5 mmt180 61.85 35.06 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.597 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.7 t80 -65.15 112.42 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.0 tmtm? -53.95 88.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.764 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -114.31 157.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.44 -114.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 66.0 m -121.0 10.91 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.962 0.41 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.53 151.72 43.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 110.72 20.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.764 HD13 HD12 ' A' ' 622' ' ' ILE . 14.4 pt -69.93 144.82 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.466 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 21.2 mt -114.99 112.63 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.9 t -87.31 144.55 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.8 p -157.62 135.8 10.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.59 160.48 31.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -129.11 173.3 10.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.0 t -57.17 158.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 161.07 -78.22 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -66.39 150.41 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.7 m 57.27 49.07 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -86.78 146.19 20.48 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -20.86 34.59 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.2 t -43.43 -65.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 83.2 p 46.83 43.15 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.52 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 36.2 p -104.55 -54.7 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 58.5 m -129.16 142.41 50.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 137.56 79.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 6.1 t -79.21 110.17 14.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.386 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.9 m -77.52 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 163.91 -89.15 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 110.94 8.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -134.55 -168.08 11.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 604' ' ' MET . . . -136.44 124.27 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.69 107.95 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 579' ' ' PHE . 97.5 t -97.23 106.94 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -76.97 120.76 22.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 17.3 t -118.23 128.42 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 165.74 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.406 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.4 t30 69.55 44.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' TYR . 35.6 mt -91.77 125.14 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -49.77 87.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 562' ' ' ILE . 21.0 p90 -46.63 -44.37 18.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 564' ' ' TYR . 51.7 mtp180 -34.43 -52.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.587 HD11 ' CA ' ' A' ' 623' ' ' GLY . 96.6 mt -56.1 143.19 33.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.8 m -66.5 147.22 53.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -49.12 -51.94 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.71 -32.76 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.572 ' O ' HD12 ' A' ' 574' ' ' LEU . 6.6 tp10 -76.23 -21.82 55.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 562' ' ' ILE . 37.6 mt -87.71 -57.64 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -34.91 58.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.3 pt20 -74.12 -44.11 55.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 570' ' ' GLU . 27.0 mt -61.5 -57.59 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 51.3 mt -50.8 -49.91 57.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -54.12 -39.33 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.83 -46.72 83.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.52 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 557' ' ' VAL . 50.8 m-85 -54.6 -26.07 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.89 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -65.44 -20.84 66.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 59.5 m-70 -91.95 -64.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.83 -125.78 2.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -127.51 110.26 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.08 125.05 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -87.34 -48.94 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 22.5 m -160.59 170.98 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 92.1 t -141.85 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.41 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 35.7 mm-40 -116.44 147.29 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 62.4 mt -120.36 141.62 49.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 53.8 m -71.07 153.35 94.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.718 0.77 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.14 35.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -65.45 144.76 56.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -125.09 34.34 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 597' ' ' GLN . 41.8 m-20 -146.04 -178.6 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.491 ' CE2' ' HG2' ' A' ' 597' ' ' GLN . 23.2 p90 -39.94 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 596' ' ' TYR . 5.3 mm100 -83.75 37.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 24.0 tp -90.02 127.02 35.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -124.08 174.69 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -162.58 164.99 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.91 106.94 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 579' ' ' PHE . 99.1 t -89.13 110.68 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -80.99 139.22 35.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . 0.425 ' HB2' ' HB3' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -119.38 155.27 32.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.67 -53.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.29 147.08 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -65.48 -55.7 16.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 611' ' ' ILE . 39.8 mt-30 -53.19 -46.17 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -45.83 -38.24 7.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.83 -49.15 32.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 608' ' ' GLN . 84.5 mt -39.41 -61.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.42 -40.59 94.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.532 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -54.64 -29.54 52.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.58 ' HA ' HG11 ' A' ' 629' ' ' VAL . 99.6 t -77.24 -65.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -57.31 -19.7 23.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.0 m -86.9 -58.91 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 579' ' ' PHE . 89.1 mt -69.11 -15.52 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -38.44 121.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 64.11 34.98 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.592 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.5 t80 -65.45 114.47 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 623' ' ' GLY . 19.8 tptp -54.62 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -117.44 156.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.587 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 36.01 -114.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.3 m -120.08 6.82 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.406 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 5.9 ptpt -146.66 146.63 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -74.97 144.07 43.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 26.7 pt -99.12 139.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.07 105.87 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.58 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -86.41 149.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 9.4 m -164.98 140.62 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 611' ' ' ILE . 71.2 mt -75.26 164.7 26.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.36 118.6 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 21.5 m -50.64 -53.21 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 107.43 135.38 7.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -63.34 129.88 42.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.5 p -142.76 166.66 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -163.54 81.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -33.58 16.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 10.0 t -83.64 128.94 34.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 85.7 p -170.5 168.04 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t -64.62 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -85.94 177.27 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 550' ' ' SER . . . 79.78 -156.55 40.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 549' ' ' GLY . 37.7 m 35.99 41.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 57.9 m -128.94 120.46 26.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 57.68 41.65 93.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -95.54 -54.38 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -174.67 129.24 1.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -129.93 106.51 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.52 111.72 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.805 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 46.4 t -94.77 105.12 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 630' ' ' SER . 7.0 mm100 -71.47 117.0 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.534 HG21 HG23 ' A' ' 602' ' ' VAL . 18.6 t -101.32 138.33 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.3 168.28 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.14 50.43 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.631 ' CG2' HD22 ' A' ' 571' ' ' LEU . 47.4 mt -90.25 117.05 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 88.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 562' ' ' ILE . 23.4 p90 -50.17 -37.22 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 564' ' ' TYR . 14.9 mtt-85 -36.62 -45.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.46 149.93 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 10.4 m -62.99 151.1 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -59.31 -29.62 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.72 -31.94 59.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.2 -23.94 40.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.631 HD22 ' CG2' ' A' ' 562' ' ' ILE . 51.2 mt -82.39 -35.38 27.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -79.18 -21.4 46.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -38.34 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 54.2 mt -68.19 -50.86 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.22 -53.03 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.668 ' O ' HG21 ' A' ' 585' ' ' VAL . 23.4 tt0 -57.21 -36.52 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.63 -47.07 70.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.78 54.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.805 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 35.3 m-85 -61.23 -31.47 71.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.31 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -57.86 -20.74 38.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -94.05 -66.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.84 -125.38 2.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -128.17 111.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 576' ' ' GLN . 61.1 t -65.36 133.06 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -93.9 -53.38 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 94.3 p -158.5 168.02 28.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.54 118.34 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -118.38 135.98 54.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 572' ' ' GLN . 40.6 mt -107.52 145.73 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 25.3 m -76.82 152.85 82.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.748 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.58 28.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -67.82 109.16 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 68.7 p -93.97 36.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 3.4 m-20 -141.59 177.17 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.482 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 10.4 p90 -38.48 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 16.7 mt-30 -83.76 35.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 18.0 tp -84.85 106.14 16.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -104.63 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 562' ' ' ILE . . . -161.91 170.64 19.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.2 t -141.62 114.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.534 HG23 HG21 ' A' ' 559' ' ' VAL . 96.5 t -96.62 111.06 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -81.23 136.55 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.86 156.49 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.78 -50.76 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -101.2 148.11 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.695 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -68.41 -58.59 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.4 tt0 -52.74 -42.49 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -50.05 -34.7 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.9 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.5 mt -37.06 -63.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.02 72.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -47.62 -34.05 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.555 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.3 t -73.45 -59.97 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -63.04 -16.98 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 65.2 m -91.45 -59.89 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 629' ' ' VAL . 93.8 mt -66.31 -10.38 42.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -44.35 123.13 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 58.97 36.65 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.7 t80 -66.93 110.6 3.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.29 91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -117.74 155.99 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.86 -113.68 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.5 t -122.61 10.74 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -143.18 152.05 41.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 109.53 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.813 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -66.03 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 44.3 mt -107.8 109.4 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.555 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -87.95 146.93 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.0 p -161.14 136.44 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 631' ' ' LEU . 25.2 mt -68.05 160.59 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -149.35 138.3 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 1.2 t -141.06 160.0 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.33 -101.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -67.23 135.93 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 75.7 p -105.68 -47.68 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 69.39 -174.95 33.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.95 55.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 68.3 p -139.65 170.46 15.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.8 m -94.07 -60.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 64.2 m -86.37 117.96 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.3 m -120.33 130.63 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -85.71 75.12 2.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 32.7 p -125.11 141.87 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 p -130.21 -58.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -49.86 -90.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -44.92 104.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 168.92 -165.03 38.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -140.23 112.33 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.95 106.57 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 579' ' ' PHE . 78.0 t -92.5 105.0 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.462 ' OE1' HG22 ' A' ' 601' ' ' VAL . 11.3 mm-40 -73.99 123.01 23.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.9 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -140.12 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 2.6 t30 67.59 32.92 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 18.6 mt -83.9 120.03 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.04 101.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 565' ' ' ARG . 14.2 p90 -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 564' ' ' TYR . 25.4 mtm180 -34.47 -59.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.512 HD11 ' CA ' ' A' ' 623' ' ' GLY . 23.6 mt -45.59 165.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 50.7 p -80.16 147.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -61.66 -29.81 70.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -78.5 -26.42 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.578 ' O ' HD12 ' A' ' 574' ' ' LEU . 25.6 tt0 -88.69 -18.6 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 62.9 mt -86.01 -48.44 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.667 ' HB3' HD11 ' A' ' 590' ' ' LEU . 15.1 pt20 -64.55 -36.65 84.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 7.9 pt20 -71.64 -42.91 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 570' ' ' GLU . 40.1 mt -63.75 -56.76 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.7 mt -46.15 -44.49 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.96 -40.52 80.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.92 -53.96 50.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.38 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.613 ' CE2' HG21 ' A' ' 602' ' ' VAL . 52.7 m-85 -52.62 -31.12 34.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.16 82.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -59.29 -22.98 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.506 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 46.3 m-70 -89.13 -67.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.32 -126.55 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -125.08 108.06 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.04 128.67 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -88.1 -55.47 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.7 m -152.08 168.97 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 42.5 t -140.82 112.29 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.86 144.76 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 572' ' ' GLN . 49.1 mt -119.68 147.78 44.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.652 ' OG ' HD12 ' A' ' 598' ' ' LEU . 32.5 p -81.75 151.55 68.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.14 25.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -47.15 136.34 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -111.88 9.36 20.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -112.33 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -55.32 -13.85 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -86.48 25.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.652 HD12 ' OG ' ' A' ' 591' ' ' SER . 10.9 tp -76.5 123.22 25.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -118.47 178.65 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.17 164.8 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . 0.462 HG22 ' OE1' ' A' ' 558' ' ' GLN . 89.1 t -137.9 115.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.613 HG21 ' CE2' ' A' ' 579' ' ' PHE . 57.3 t -96.53 116.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -87.74 131.51 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.91 147.39 35.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.35 -52.3 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -102.05 149.94 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -70.08 -57.36 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 611' ' ' ILE . 80.9 mm-40 -49.99 -54.63 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -41.63 -34.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.27 -51.71 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.4 mt -35.43 -61.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.04 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -48.39 -31.35 6.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.444 ' HA ' HG11 ' A' ' 629' ' ' VAL . 70.7 t -73.94 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -61.05 -16.71 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 57.9 m -90.74 -58.4 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.23 -8.44 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.16 125.52 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 60.18 31.75 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.557 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -60.3 111.42 1.54 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -52.76 88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.779 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -113.78 155.93 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.512 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.22 -114.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.416 ' CB ' HH21 ' A' ' 565' ' ' ARG . 74.2 m -121.71 13.24 10.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -147.52 139.34 24.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -76.75 115.0 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.779 HD13 HD12 ' A' ' 622' ' ' ILE . 22.3 pt -70.64 134.06 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.85 107.99 19.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -87.06 148.21 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.3 p -160.47 138.79 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 611' ' ' ILE . 33.6 mt -73.39 159.9 32.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -125.38 127.68 46.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 30.3 p -58.94 97.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -106.21 -148.9 16.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -56.62 155.26 7.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 2.1 t -106.41 42.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 41.82 -158.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 89.15 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 21.8 m -78.05 108.72 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.6 t -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.9 t -140.35 163.78 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 -52.97 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 89.13 170.48 45.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 58.8 p -117.83 91.61 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.1 m -72.69 111.61 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 133.66 -95.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.06 112.88 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 142.76 132.77 2.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.25 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.466 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.6 OUTLIER -115.12 111.29 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 19.0 t -100.68 106.03 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.61 122.11 19.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 602' ' ' VAL . 16.4 t -106.23 130.09 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.52 168.34 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 3.9 t30 56.36 47.74 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 56.7 mt -85.71 145.16 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.582 ' OD2' HD12 ' A' ' 566' ' ' LEU . 0.4 OUTLIER -79.33 79.8 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.426 ' CE1' ' HG2' ' A' ' 565' ' ' ARG . 1.2 p90 -50.46 -29.51 10.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' HG2' ' CE1' ' A' ' 564' ' ' TYR . 10.6 mmm180 -46.21 -38.98 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.582 HD12 ' OD2' ' A' ' 563' ' ' ASP . 22.8 mt -73.91 167.59 21.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 92.7 p -81.8 140.38 34.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -43.68 -52.58 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 29.9 ttpt -55.78 -37.3 68.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 574' ' ' LEU . 24.9 tp10 -73.05 -22.88 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.74 -59.19 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.4 pt20 -56.2 -26.2 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 569' ' ' LYS . 0.8 OUTLIER -82.57 -40.22 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 570' ' ' GLU . 32.9 mt -68.83 -56.14 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 67.7 mt -49.25 -44.01 43.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.418 ' HG3' HG11 ' A' ' 585' ' ' VAL . 54.9 tt0 -60.03 -40.35 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.88 -52.67 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -54.34 -61.38 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 39.7 m-85 -54.01 -36.19 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.88 80.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.33 -27.75 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -83.24 -59.46 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -139.28 -126.37 2.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 111.13 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 576' ' ' GLN . 92.1 t -66.0 126.76 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 603' ' ' GLN . 6.7 ttmt -82.91 -52.24 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.2 m -162.89 166.92 23.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 576' ' ' GLN . 97.8 t -135.03 119.51 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -110.91 150.09 29.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 572' ' ' GLN . 72.3 mt -125.71 143.69 50.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.531 ' OG ' HD12 ' A' ' 598' ' ' LEU . 24.4 p -77.21 152.49 81.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -13.17 34.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.743 ' O ' HD13 ' A' ' 598' ' ' LEU . 66.1 m80 -66.74 132.17 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.2 t -112.62 31.03 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -137.56 178.65 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -40.59 -29.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -82.68 38.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 593' ' ' HIS . 17.0 tp -92.87 115.04 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -110.12 176.9 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.34 172.15 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.0 t -143.07 112.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.65 HG11 ' CD2' ' A' ' 579' ' ' PHE . 97.2 t -92.28 110.57 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.422 ' C ' ' HB3' ' A' ' 586' ' ' LYS . 4.0 tt0 -82.56 131.61 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -112.39 155.12 24.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -74.41 -52.41 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -94.59 141.81 28.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.5 OUTLIER -66.14 -49.88 65.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.514 ' HA ' HD12 ' A' ' 611' ' ' ILE . 2.4 mp0 -60.41 -50.73 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.0 -36.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -71.64 -50.75 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 608' ' ' GLN . 86.1 mt -38.81 -60.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.59 77.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.89 -31.83 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.527 ' HA ' HG11 ' A' ' 629' ' ' VAL . 94.5 t -74.8 -65.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -57.43 -14.99 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.0 m -92.02 -59.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.578 ' HB2' HG21 ' A' ' 629' ' ' VAL . 89.7 mt -66.84 -13.2 61.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -44.2 123.19 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 61.75 36.38 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.666 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.6 t80 -72.03 115.95 11.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -53.13 88.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -115.83 156.57 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.58 -116.97 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.9 m -121.14 13.29 11.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -148.56 143.37 26.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.477 ' N ' ' HE3' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -73.01 115.65 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.912 HD13 HD12 ' A' ' 622' ' ' ILE . 32.7 pt -72.25 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.9 106.44 16.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.7 t -86.52 144.42 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 2.7 p -160.42 135.26 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 614' ' ' VAL . 41.3 mt -68.72 166.05 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -133.71 141.12 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 82.7 p -55.49 174.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 175.61 52.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -174.02 142.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 6.4 t -115.31 82.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 133.62 83.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.52 10.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 37.5 m -49.69 138.65 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.0 t -64.48 106.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 45.0 m -84.12 -54.19 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.6 m -52.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -135.68 97.91 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 41.4 m -126.77 117.82 23.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.7 t -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 116.17 107.63 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 553' ' ' ASN . 5.4 p30 -145.9 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.79 32.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -147.35 141.65 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.52 107.1 14.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 579' ' ' PHE . 100.0 t -94.96 111.43 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 7.5 mt-30 -80.47 123.11 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.89 131.82 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 168.29 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 626' ' ' LYS . 2.8 t30 67.23 40.88 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.41 126.87 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.87 85.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -50.05 -28.34 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -40.98 -39.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.22 163.74 24.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 72.0 m -72.69 136.57 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -52.12 -32.55 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 15.8 ptpt -71.33 -45.34 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 7.1 tp10 -68.93 -23.5 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 38.9 mt -78.52 -48.77 14.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.9 ' HB3' HD11 ' A' ' 590' ' ' LEU . 8.6 pt20 -58.48 -40.37 82.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.506 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.6 OUTLIER -69.61 -48.54 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 24.5 mt -56.57 -62.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.3 mt -38.97 -43.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -57.64 -46.68 83.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 577' ' ' GLU . 0.2 OUTLIER -50.19 -59.95 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . 0.503 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -51.22 -62.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 617' ' ' LEU . 42.8 m-85 -55.18 -29.98 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.85 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -52.52 -21.91 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -87.58 -70.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -123.14 -124.13 2.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -129.09 103.98 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.37 134.27 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -95.66 -55.69 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 t -154.59 164.72 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.0 t -133.09 119.47 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -109.24 147.54 32.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 572' ' ' GLN . 51.4 mt -125.74 137.64 53.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.5 p -77.65 155.2 81.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -19.61 35.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -51.84 123.42 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 69.9 p -110.2 35.07 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.5 m-20 -145.12 -178.76 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.476 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 31.2 p90 -39.74 -28.76 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.476 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 10.8 mt-30 -82.77 38.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.46 111.18 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -110.17 178.5 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -169.02 169.25 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.1 t -138.66 120.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.54 107.45 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -77.56 133.76 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.61 159.26 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.57 -56.27 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.09 140.23 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -57.81 -60.95 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.652 ' HA ' HD12 ' A' ' 611' ' ' ILE . 3.6 mm100 -46.47 -49.03 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -44.36 -38.79 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -70.27 -50.74 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 608' ' ' GLN . 89.6 mt -38.12 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -65.98 -47.64 72.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.76 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 610' ' ' ALA . 86.7 t -75.1 -61.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.31 -19.75 56.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 63.6 m -87.03 -59.96 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.672 HD12 ' CE1' ' A' ' 579' ' ' PHE . 87.1 mt -66.45 -17.21 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 617' ' ' LEU . 1.8 t60 -36.73 122.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 61.92 36.36 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.593 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -63.94 114.28 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -56.47 90.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -113.6 156.94 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.46 -114.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.4 m -120.79 16.57 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -149.75 158.69 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.466 ' O ' ' ND2' ' A' ' 561' ' ' ASN . 10.9 mptt -93.87 127.52 39.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.685 HD13 HD12 ' A' ' 622' ' ' ILE . 8.5 pt -85.53 141.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.5 mt -107.58 110.07 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -88.54 145.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 37.8 m -161.58 131.87 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.25 160.48 18.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -127.77 133.4 49.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 34.4 p -50.65 128.09 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -122.21 -59.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -158.77 132.5 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 83.9 p -140.24 149.97 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -118.69 157.17 15.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.55 7.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 55.6 p -164.82 129.69 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 3.9 t -74.02 111.57 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 69.8 p -76.94 139.9 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 9.6 t -173.02 130.73 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -56.97 151.98 24.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 68.8 m -65.76 119.45 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.3 t -148.21 159.37 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -148.94 118.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -109.65 -50.41 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 156.84 -171.88 34.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.69 118.54 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.15 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.809 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.679 HG11 ' CE1' ' A' ' 579' ' ' PHE . 47.5 t -98.18 109.03 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.96 121.7 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.55 121.42 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.7 m -124.93 168.32 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 6.2 t30 68.54 40.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.448 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.8 mt -86.5 126.32 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -62.77 92.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.471 ' HA ' HD22 ' A' ' 598' ' ' LEU . 20.9 p90 -48.66 -40.11 26.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.9 mtp85 -34.94 -43.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -69.92 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 30.3 p -70.19 140.03 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -44.97 -55.6 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -52.64 -30.7 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.43 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 18.0 tt0 -84.89 -19.18 32.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.486 HD13 HD21 ' A' ' 598' ' ' LEU . 56.1 mt -86.08 -49.34 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.524 ' HB3' HD11 ' A' ' 590' ' ' LEU . 7.0 pt20 -67.15 -16.52 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 15.6 pt20 -90.16 -47.29 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 52.7 mt -61.41 -47.07 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.43 -49.16 77.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 49.5 tt0 -55.13 -34.81 64.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.03 -54.75 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.94 -56.9 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.679 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.3 m-85 -59.47 -27.26 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -69.85 -35.95 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -59.58 -26.34 65.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -85.44 -66.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.05 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -129.0 109.99 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 576' ' ' GLN . 88.5 t -60.93 126.38 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.31 -47.75 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -159.31 164.75 34.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 90.1 t -142.3 117.0 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.445 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 14.8 mt-10 -113.52 146.49 39.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 572' ' ' GLN . 80.9 mt -116.92 140.94 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 5.3 m -75.03 150.35 85.7 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.05 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -77.73 119.61 21.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -104.1 38.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 21.6 t0 -147.28 -179.08 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 597' ' ' GLN . 0.2 OUTLIER -36.69 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 7.6 mm100 -83.75 35.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.486 HD21 HD13 ' A' ' 571' ' ' LEU . 18.5 tp -88.39 113.1 23.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -116.82 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -168.97 173.48 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.095 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.76 105.78 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.93 108.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -79.71 139.11 37.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -119.02 160.82 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.31 -59.61 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -94.39 143.86 26.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.6 OUTLIER -61.65 -57.9 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 611' ' ' ILE . 47.0 tt0 -50.13 -52.22 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -41.9 -36.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -72.96 -52.67 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 608' ' ' GLN . 76.3 mt -38.42 -57.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.26 -45.09 88.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.09 -33.23 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.539 HG22 HG12 ' A' ' 629' ' ' VAL . 99.5 t -73.94 -66.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -55.42 -17.24 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 53.6 m -91.06 -59.8 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 579' ' ' PHE . 68.1 mt -66.13 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.05 119.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.452 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 23.7 mmt180 67.56 37.59 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.535 ' HB3' HD11 ' A' ' 627' ' ' ILE . 4.3 t80 -67.98 111.91 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.857 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.26 156.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.487 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 37.27 -114.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.9 p -118.12 3.02 12.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -139.73 156.65 46.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -88.13 113.35 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.857 HD13 HD12 ' A' ' 622' ' ' ILE . 15.6 pt -66.55 148.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.8 mt -115.18 112.09 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 617' ' ' LEU . 3.1 t -86.95 149.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 49.9 m -163.15 144.32 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 46.4 mt -80.91 162.13 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -124.99 121.84 35.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 11.8 t -130.07 133.44 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . 145.38 89.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -117.55 -46.02 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 17.5 t -157.23 115.31 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -178.27 2.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 15.7 p -65.87 124.49 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.2 p -110.6 80.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 m -58.5 156.48 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 70.3 m -115.85 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.95 79.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 2.9 t -45.32 99.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 60.1 p -166.21 137.41 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -178.58 -46.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.25 149.39 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 154.76 96.18 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -137.95 121.77 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.01 116.71 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.0 t -102.03 110.03 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -73.9 124.43 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.7 131.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 m -137.42 168.29 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.82 26.59 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.508 HD12 ' CA ' ' A' ' 599' ' ' LYS . 30.3 mt -64.7 150.86 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 563' ' ' ASP . 0.1 OUTLIER -88.86 90.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 46.9 p90 -45.81 -39.1 7.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 564' ' ' TYR . 28.0 mtp85 -36.43 -56.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.589 HD11 ' CA ' ' A' ' 623' ' ' GLY . 25.7 mt -63.68 147.8 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 60.1 p -70.05 147.73 49.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -43.6 -55.87 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -52.08 -51.88 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.61 -43.91 62.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.54 -40.45 76.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.777 ' HG2' HD11 ' A' ' 590' ' ' LEU . 7.9 mm-40 -53.62 -61.08 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 22.6 pt20 -57.46 -50.28 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 58.6 mt -49.41 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 63.8 mt -47.02 -51.55 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 585' ' ' VAL . 55.6 tt0 -55.31 -42.62 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.26 -52.64 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.61 -61.51 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.614 ' CE1' HG11 ' A' ' 557' ' ' VAL . 49.2 m-85 -56.01 -26.15 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.77 -40.15 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -55.8 -26.92 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 87.8 m-70 -86.19 -63.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.75 -128.17 3.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -127.68 108.72 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 576' ' ' GLN . 96.8 t -60.16 134.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -95.71 -56.64 2.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 12.9 m -152.23 157.47 41.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.597 HG12 ' NE2' ' A' ' 572' ' ' GLN . 81.8 t -132.88 125.58 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -132.16 144.61 50.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.777 HD11 ' HG2' ' A' ' 572' ' ' GLN . 23.9 mt -118.75 150.25 40.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.1 m -81.14 160.24 66.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.56 31.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -48.16 133.48 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.5 t -119.04 39.02 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 597' ' ' GLN . 42.7 m-20 -157.13 -176.65 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 595' ' ' ASP . 21.1 p90 -35.79 -32.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 595' ' ' ASP . 0.8 OUTLIER -82.35 39.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 564' ' ' TYR . 27.6 tp -95.29 110.9 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.508 ' CA ' HD12 ' A' ' 562' ' ' ILE . 79.6 mttt -114.27 179.16 4.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -165.36 169.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 52.1 t -135.2 112.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 579' ' ' PHE . 73.0 t -100.35 105.32 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.22 140.68 38.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.05 152.41 35.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.07 -57.62 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 20.3 t30 -95.71 139.21 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -60.94 -55.17 36.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 611' ' ' ILE . 22.3 tt0 -54.04 -45.86 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 97.2 m-20 -45.76 -40.1 9.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -69.38 -48.0 62.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 631' ' ' LEU . 77.5 mt -37.28 -66.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.34 -50.11 70.34 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -46.64 -33.45 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.2 t -74.7 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -61.69 -13.48 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 50.8 m -95.07 -59.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' ' 629' ' ' VAL . 67.7 mt -65.09 -14.42 60.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -41.76 123.46 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.477 ' NE ' ' CD2' ' A' ' 628' ' ' LEU . 23.4 mmt180 63.25 36.81 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.9 t80 -68.41 109.86 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -48.33 94.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 627' ' ' ILE . 3.5 mt -119.05 159.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.589 ' CA ' HD11 ' A' ' 566' ' ' LEU . . . 34.06 -112.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.445 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -119.24 0.61 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -137.11 160.31 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -89.65 123.66 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 622' ' ' ILE . 36.6 pt -79.09 143.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.477 ' CD2' ' NE ' ' A' ' 619' ' ' ARG . 23.4 mt -112.6 109.3 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.8 t -86.43 148.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 52.7 m -160.28 136.26 8.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 611' ' ' ILE . 23.4 mt -70.94 164.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -127.74 159.85 33.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 8.9 t -109.75 135.81 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -120.3 83.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.57 130.66 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 38.3 t -123.27 155.97 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 73.89 145.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 67.6 m -147.34 178.35 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 66.0 m -73.35 151.14 41.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.3 m -121.9 -45.81 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 m -88.88 81.48 6.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -47.91 130.1 17.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 1.5 t -75.82 91.53 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 97.1 p -39.76 149.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -129.26 95.88 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.41 41.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 99.04 -171.08 24.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -142.64 112.1 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.42 127.03 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 579' ' ' PHE . 94.2 t -112.64 107.67 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -72.91 122.12 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.61 122.82 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.2 m -126.71 168.14 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.31 38.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 46.1 mt -89.76 124.19 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.43 109.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.659 ' HA ' HD22 ' A' ' 598' ' ' LEU . 25.9 p90 -65.12 -38.8 91.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 564' ' ' TYR . 22.6 mtp85 -34.56 -63.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 80.0 mt -43.33 163.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 568' ' ' ARG . 55.2 p -86.57 134.28 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 567' ' ' SER . 33.7 mtt85 -34.61 -67.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -44.95 -49.55 11.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.17 -37.08 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 65.2 mt -72.21 -46.75 54.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.07 -64.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.15 -59.43 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . . . . . . . . . 39.1 mt -37.79 -62.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 83.6 mt -48.62 -50.43 32.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.654 ' O ' HG21 ' A' ' 585' ' ' VAL . 45.5 tt0 -55.76 -43.28 76.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 580' ' ' ALA . 4.3 mm-40 -57.58 -55.99 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -50.19 -60.02 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 44.1 m-85 -57.62 -34.73 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 577' ' ' GLU . . . -57.01 -49.35 76.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 581' ' ' ARG . 11.2 mtp-105 -50.74 -22.28 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.66 -61.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -135.92 -128.6 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -122.83 104.49 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.2 t -58.42 120.1 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -77.97 -54.99 5.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.1 t -159.12 168.06 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 48.2 t -138.66 123.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -123.39 138.5 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 40.3 mt -109.8 146.31 35.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 6.3 m -76.39 151.87 83.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.57 23.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -68.3 126.83 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -111.37 43.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.94 -177.57 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 26.2 p90 -41.82 -28.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.549 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.4 mt-30 -83.56 39.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 564' ' ' TYR . 31.5 tp -85.57 123.93 31.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -121.18 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.32 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . 0.48 HG12 ' OE1' ' A' ' 603' ' ' GLN . 88.9 t -141.37 113.26 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 579' ' ' PHE . 93.3 t -101.71 126.86 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . 0.48 ' OE1' HG12 ' A' ' 601' ' ' VAL . 1.4 mp0 -99.03 145.6 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 6.7 mtp -122.12 132.99 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -48.14 -44.15 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -103.97 157.13 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.63 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.9 OUTLIER -79.37 -58.74 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 611' ' ' ILE . 44.0 tt0 -52.45 -43.93 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.83 -35.27 9.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.46 -52.02 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.4 mt -34.54 -59.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -67.57 -44.3 83.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 579' ' ' PHE . . . -51.26 -33.92 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.558 ' HA ' HG11 ' A' ' 629' ' ' VAL . 89.0 t -73.15 -56.54 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -68.11 -13.27 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.7 m -93.47 -57.07 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 94.0 mt -72.52 -5.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.2 122.95 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 61.45 34.14 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 627' ' ' ILE . 2.1 t80 -61.72 111.97 2.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.96 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -116.74 157.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.98 -113.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.6 t -122.49 23.16 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -157.78 156.99 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -90.74 122.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.594 HD13 HD12 ' A' ' 622' ' ' ILE . 28.5 pt -79.29 133.54 29.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.47 106.95 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.558 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.6 t -87.7 145.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 30.3 m -163.15 131.48 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 611' ' ' ILE . 50.9 mt -63.44 161.56 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -122.14 159.44 27.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.1 t -127.7 133.07 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -100.55 -129.63 6.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -80.65 98.96 7.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 25.4 m -114.3 100.68 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -137.33 83.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 157.69 59.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 95.0 p -125.37 -44.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.3 t -146.95 141.48 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 67.3 m -61.42 150.47 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 43.1 m -56.85 116.66 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.08 67.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 16.5 t 64.78 39.78 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 85.6 p -94.97 151.16 19.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -169.07 103.53 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -125.29 112.51 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 114.23 83.37 1.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -100.39 117.11 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.318 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 5.1 m-20 -103.9 117.91 35.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.58 HG11 ' CE1' ' A' ' 579' ' ' PHE . 61.5 t -103.26 106.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 630' ' ' SER . 4.4 mt-30 -71.54 118.39 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 602' ' ' VAL . 41.3 t -104.17 134.22 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.95 168.31 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.27 53.9 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' TYR . 30.5 mt -96.02 111.13 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.463 ' OD1' HD21 ' A' ' 571' ' ' LEU . 0.4 OUTLIER -47.57 91.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 562' ' ' ILE . 12.5 p90 -52.22 -33.64 42.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 11.8 mtp-105 -41.26 -38.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.407 HD11 ' CA ' ' A' ' 623' ' ' GLY . 63.5 mt -78.29 149.06 33.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 4.4 t -67.55 167.33 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -70.67 -40.73 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -65.53 -32.26 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.411 ' HA ' ' CD ' ' A' ' 573' ' ' GLN . 29.4 tt0 -80.27 -29.14 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 563' ' ' ASP . 37.0 mt -79.37 -42.87 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -37.6 76.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.411 ' CD ' ' HA ' ' A' ' 570' ' ' GLU . 10.7 pt20 -69.33 -44.83 70.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 49.7 mt -63.59 -54.91 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.0 mt -50.49 -51.73 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -54.93 -40.39 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.99 -51.52 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.68 -59.52 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 557' ' ' VAL . 29.0 m-85 -52.53 -32.77 42.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.22 92.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -53.92 -30.45 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -84.4 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -122.88 -128.78 3.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . 0.444 ' CG ' ' HG3' ' A' ' 605' ' ' GLU . 11.7 tppt? -130.91 104.59 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.39 145.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 586' ' ' LYS . 0.0 OUTLIER -115.18 -40.92 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 69.4 m -164.93 160.04 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.22 111.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 29.0 mm-40 -109.31 145.3 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.89 150.15 43.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 73.0 m -84.62 154.51 62.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -21.15 33.96 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.292 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -57.14 121.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.6 t -104.84 35.14 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -140.62 -175.58 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 39.4 p90 -43.76 -30.98 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.53 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 11.2 mt-30 -81.4 41.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 22.9 tp -92.07 112.98 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -113.67 175.17 5.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -164.62 174.81 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.61 109.45 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.475 HG23 HG21 ' A' ' 559' ' ' VAL . 95.3 t -91.13 114.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -83.2 140.59 32.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.5 142.98 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' A' ' 584' ' ' LYS . 5.3 mm-40 -50.04 -63.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -99.01 156.36 16.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.665 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -67.98 -61.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 611' ' ' ILE . 24.6 tt0 -43.59 -56.6 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -38.52 -38.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.31 -44.02 59.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 608' ' ' GLN . 95.4 mt -43.63 -63.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.16 -40.83 98.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.6 47.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 610' ' ' ALA . 92.6 t -75.88 -63.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.25 -12.58 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.1 m -95.57 -59.95 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' ' 629' ' ' VAL . 95.2 mt -66.74 -13.24 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -43.91 123.38 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 62.11 37.38 14.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.632 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -70.95 112.22 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -50.0 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.0 mt -120.27 154.65 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 36.75 -114.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.5 t -124.22 14.22 9.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -146.25 143.73 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.481 ' HE2' ' N ' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -76.64 109.2 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 32.4 pt -66.19 137.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.5 mt -109.11 108.4 19.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -86.35 147.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 558' ' ' GLN . 5.7 p -158.37 143.16 16.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 611' ' ' ILE . 27.8 mt -79.81 165.89 22.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -135.8 -177.45 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 51.7 p -76.26 141.28 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -80.47 175.79 54.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -85.84 123.93 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 5.6 m 58.15 25.27 12.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -84.46 152.58 27.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 172.21 13.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 23.1 t -53.18 -50.75 63.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 29.6 t -94.88 168.7 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 53.7 m -56.35 -51.81 66.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 45.0 t -98.71 103.98 15.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.42 49.03 0.94 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 24.8 m -84.07 165.53 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 33.3 m -43.63 145.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.21 52.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -74.29 114.81 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -99.76 -104.29 2.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -146.45 126.98 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 579' ' ' PHE . 87.8 t -113.24 103.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.446 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 22.3 mt-30 -72.25 129.61 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 11.7 t -124.61 130.55 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.67 165.16 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 2.3 t30 69.35 35.32 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 564' ' ' TYR . 51.1 mt -83.11 117.91 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.1 OUTLIER -41.87 94.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 562' ' ' ILE . 17.8 p90 -57.56 -33.22 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -41.13 -56.05 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -54.28 158.83 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.5 t -73.26 169.71 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -71.57 -41.87 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -72.25 -35.89 68.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.88 -22.64 63.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 563' ' ' ASP . 46.5 mt -89.92 -57.56 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -20.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 1.7 pt20 -90.39 -46.51 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.465 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.7 mt -59.34 -46.41 88.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.11 -49.4 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.5 ' O ' HG21 ' A' ' 585' ' ' VAL . 32.9 tt0 -56.1 -33.0 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.02 -54.32 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 617' ' ' LEU . . . -56.88 -55.64 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 557' ' ' VAL . 43.9 m-85 -59.15 -27.28 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -70.01 -40.69 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -56.77 -19.96 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -91.29 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -126.86 -120.95 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -132.42 103.83 6.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 576' ' ' GLN . 98.3 t -57.22 120.77 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -80.44 -41.61 24.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 10.0 t -172.7 175.1 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 64.8 t -139.63 125.53 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.421 ' O ' ' HB1' ' A' ' 600' ' ' ALA . 58.7 mt-10 -117.76 146.13 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 84.8 mt -119.59 149.96 41.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 1.8 m -87.61 161.37 45.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.73 17.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -44.29 143.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -129.25 27.69 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 597' ' ' GLN . 26.8 m-20 -140.75 -179.06 5.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -38.71 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 595' ' ' ASP . 2.6 mm100 -83.77 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.3 tp -87.6 143.32 27.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -143.92 178.33 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 589' ' ' GLU . . . -167.64 171.75 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.4 t -139.96 115.12 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 56.7 t -97.79 119.45 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -85.27 145.69 27.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -127.12 139.73 52.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.56 -61.4 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -87.52 148.66 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.11 -58.07 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -53.26 -32.76 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.71 -35.61 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -73.37 -52.31 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.556 ' HA ' HD11 ' A' ' 631' ' ' LEU . 81.1 mt -35.7 -64.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -63.01 -46.35 93.71 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -47.72 -33.13 6.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 557' ' ' VAL . 92.9 t -74.71 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -57.59 -16.8 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 61.2 m -92.78 -59.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.586 ' CD2' ' HB1' ' A' ' 578' ' ' ALA . 90.5 mt -66.73 -7.36 20.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.55 121.78 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 65.8 32.86 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.591 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.1 t80 -64.54 109.42 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -50.67 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 627' ' ' ILE . 3.8 mt -120.25 158.63 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.51 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 38.54 -113.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 70.4 m -122.06 8.59 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 563' ' ' ASP . 0.0 OUTLIER -150.36 152.18 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -75.6 143.88 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 622' ' ' ILE . 22.9 pt -99.99 131.47 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 17.5 mt -95.84 111.39 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.7 t -91.56 152.31 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 45.4 m -168.43 132.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 611' ' ' ILE . 44.3 mt -67.82 168.2 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.446 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -132.99 163.35 29.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 97.9 m -99.68 104.86 16.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -63.64 -66.49 2.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -132.66 145.03 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 67.7 m -106.89 124.96 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 152.01 83.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 164.18 35.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.9 m -162.19 167.42 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 4.7 t -168.73 116.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 75.0 m -158.89 131.18 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 23.2 t -140.37 156.74 46.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -154.53 -40.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 14.7 m -38.84 133.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.7 t -88.5 132.13 34.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 94.09 55.8 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -79.68 113.66 18.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -108.69 -139.82 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -121.57 126.84 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.9 OUTLIER -110.3 127.81 55.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 629' ' ' VAL . 63.6 t -116.5 109.55 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 17.2 mt-30 -76.44 129.59 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 20.9 t -124.58 134.38 66.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.6 m -130.49 166.46 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.478 ' ND2' ' HB3' ' A' ' 625' ' ' LYS . 0.2 OUTLIER 66.56 29.29 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 600' ' ' ALA . 28.9 mt -70.14 95.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 625' ' ' LYS . 0.3 OUTLIER -34.79 93.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 562' ' ' ILE . 13.3 p90 -59.06 -32.23 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 564' ' ' TYR . 41.7 mtt180 -35.94 -55.82 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.491 HD11 ' CA ' ' A' ' 623' ' ' GLY . 81.2 mt -54.32 178.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 37.1 m -95.81 135.01 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -44.51 -54.69 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -52.05 -29.62 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.53 -22.65 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.57 -46.31 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.569 ' HB3' HD11 ' A' ' 590' ' ' LEU . 10.1 pt20 -70.05 -28.56 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 6.0 pt20 -78.26 -49.36 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 35.2 mt -54.81 -59.7 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -41.32 -53.96 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.496 ' HG3' HG21 ' A' ' 585' ' ' VAL . 41.2 tt0 -52.74 -44.88 66.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.64 -44.18 85.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.61 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 557' ' ' VAL . 34.1 m-85 -56.74 -32.82 65.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.34 95.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -53.76 -26.11 22.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 613' ' ' ALA . 82.7 m-70 -85.19 -68.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.09 -124.69 2.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -128.0 107.04 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 576' ' ' GLN . 89.0 t -59.38 138.65 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -101.14 -46.17 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.1 t -167.52 170.01 11.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.71 117.75 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -112.6 136.35 52.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 572' ' ' GLN . 76.7 mt -108.72 150.09 28.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.4 p -81.89 154.74 70.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.77 35.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.479 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.0 m80 -62.73 136.76 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 9.0 t -119.82 30.96 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.1 m-20 -139.27 -179.55 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 595' ' ' ASP . 11.5 p90 -36.98 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 595' ' ' ASP . 23.7 mt-30 -84.8 38.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 593' ' ' HIS . 19.6 tp -93.38 116.18 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 562' ' ' ILE . 51.4 mttm -117.69 175.65 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 562' ' ' ILE . . . -160.91 157.94 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.34 116.1 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 77.0 t -97.35 123.75 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -94.79 138.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 4.7 mtp -119.82 139.24 52.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.86 -57.69 10.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -90.11 149.3 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -72.46 -56.32 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 611' ' ' ILE . 40.8 tt0 -54.56 -35.19 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.21 -35.61 67.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.63 -48.47 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 608' ' ' GLN . 88.6 mt -39.41 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.53 99.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 582' ' ' HIS . . . -52.61 -31.94 39.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 610' ' ' ALA . 94.5 t -75.5 -65.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.2 -18.07 5.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.8 m -90.48 -58.52 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 75.2 mt -69.58 -13.59 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -41.6 123.59 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 61.51 34.79 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.1 t80 -61.97 113.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -52.09 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.627 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -120.22 158.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.93 -113.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 50.7 m -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.478 ' HB3' ' ND2' ' A' ' 561' ' ' ASN . 0.0 OUTLIER -148.05 146.86 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.76 120.73 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 622' ' ' ILE . 26.2 pt -76.69 133.88 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.67 106.53 18.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.522 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -88.77 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.0 m -164.27 137.55 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.0 165.88 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -131.03 173.37 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 73.4 p -50.78 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.1 -108.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -133.28 109.99 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 49.6 m -49.29 135.24 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -164.6 87.58 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.11 27.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.8 t -76.9 128.71 35.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 8.1 m -116.03 158.68 22.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.0 m -124.57 -53.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 21.9 t -128.78 161.87 28.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 138.09 98.86 0.47 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 29.5 t -133.45 139.36 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.1 p -52.96 -48.6 67.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 83.56 100.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -87.17 -57.89 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 173.62 -160.58 30.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -145.64 121.29 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -106.17 123.59 48.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 579' ' ' PHE . 52.4 t -111.33 108.31 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.87 125.85 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 37.4 t -117.9 125.93 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -134.42 168.21 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.63 37.67 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.531 ' CG2' HD22 ' A' ' 571' ' ' LEU . 27.0 mt -86.25 125.74 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.554 ' OD1' HD12 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -58.45 84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 598' ' ' LEU . 5.4 p90 -45.69 -32.92 2.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 565' ' ' ARG . 13.3 mtp-105 -38.2 -37.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.554 HD12 ' OD1' ' A' ' 563' ' ' ASP . 80.2 mt -76.31 152.19 36.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.8 m -70.69 138.47 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . 0.592 ' HB3' HD13 ' A' ' 590' ' ' LEU . 79.4 mtt180 -43.06 -43.58 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.83 -39.66 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 574' ' ' LEU . 10.0 tp10 -74.49 -20.96 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.531 HD22 ' CG2' ' A' ' 562' ' ' ILE . 30.9 mt -84.48 -53.84 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.687 ' HB3' HD11 ' A' ' 590' ' ' LEU . 0.0 OUTLIER -56.87 -36.33 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 0.8 OUTLIER -69.93 -46.64 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 26.4 mt -59.32 -60.06 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.51 -51.81 6.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.15 -44.75 79.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -56.6 -48.98 76.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.65 -61.14 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.1 m-85 -53.16 -31.62 43.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.6 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 67.8 mtp85 -54.1 -26.69 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -85.18 -66.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.76 -124.29 2.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -130.6 104.25 7.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.326 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.0 t -55.55 152.32 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -114.6 -46.18 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 2.5 m -163.9 173.19 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 84.6 t -142.88 119.04 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -108.88 130.27 55.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 572' ' ' GLN . 71.3 mt -109.18 138.24 45.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.443 ' HG ' ' C ' ' A' ' 599' ' ' LYS . 3.8 m -74.04 152.56 88.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.749 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.49 37.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -56.87 155.94 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 2.8 t -132.85 15.29 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -120.36 -177.22 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -49.88 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.62 16.08 2.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 564' ' ' TYR . 17.3 tp -66.61 123.58 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 591' ' ' SER . 34.1 mtmt -121.5 176.28 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -167.14 157.54 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.1 t -127.42 117.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 579' ' ' PHE . 76.1 t -100.75 119.18 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -89.2 143.48 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 2.8 mtp -121.19 140.43 52.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.81 -56.17 22.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -96.01 147.87 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.4 OUTLIER -68.33 -56.89 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.716 ' HA ' HD12 ' A' ' 611' ' ' ILE . 21.4 tp60 -52.9 -46.54 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.66 -32.7 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -76.59 -49.69 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 608' ' ' GLN . 85.2 mt -35.52 -59.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.88 -47.22 67.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -48.01 -33.69 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 629' ' ' VAL . 90.7 t -74.05 -65.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.11 -18.75 16.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 56.0 m -89.19 -59.87 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 629' ' ' VAL . 76.2 mt -66.11 -13.46 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -43.92 124.12 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 60.43 37.18 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.522 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.3 t80 -68.97 112.58 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -53.62 90.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 627' ' ' ILE . 3.6 mt -115.72 155.75 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.31 -114.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.2 m -121.67 18.54 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -153.54 139.83 18.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -76.68 119.45 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 622' ' ' ILE . 12.7 pt -76.08 141.87 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.98 111.87 23.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 617' ' ' LEU . 2.6 t -91.51 144.9 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 39.7 m -159.45 130.05 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.77 158.81 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -133.24 137.44 46.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 10.9 t -162.81 142.36 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.6 -90.77 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -164.76 168.48 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 50.4 m -115.58 -49.69 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -171.9 86.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.8 m -66.46 101.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 70.2 p -44.57 118.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.5 p -68.17 -51.88 40.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 89.4 p -123.74 138.37 54.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.24 113.75 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.3 m -105.31 -50.94 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 83.9 p -92.05 127.06 37.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 553' ' ' ASN . . . 115.57 -138.96 15.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 552' ' ' GLY . 48.1 t30 36.83 42.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -165.55 -165.99 23.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -116.91 104.18 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 0.3 OUTLIER -98.09 120.73 39.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 579' ' ' PHE . 46.7 t -109.56 110.41 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.59 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 23.6 mt-30 -72.35 124.59 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.21 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' A' ' 599' ' ' LYS . 3.7 m -135.67 168.54 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.23 37.66 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 598' ' ' LEU . 37.5 mt -86.91 116.7 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.82 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 565' ' ' ARG . 40.0 p90 -56.27 -39.64 72.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 564' ' ' TYR . 33.5 mtp85 -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.77 152.17 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.3 m -72.41 141.16 48.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -50.92 -48.1 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -58.37 -29.86 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -84.43 -21.81 30.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.87 -47.12 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.35 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 16.9 pt20 -77.67 -48.86 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 40.2 mt -56.27 -57.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.77 -48.21 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.411 ' O ' HG21 ' A' ' 585' ' ' VAL . 34.4 tt0 -55.73 -42.55 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.81 -52.95 62.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -55.66 -60.79 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.449 ' CE1' HG11 ' A' ' 557' ' ' VAL . 35.6 m-85 -54.56 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.5 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -60.25 -17.76 44.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -95.14 -66.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.33 -118.98 2.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -134.07 113.6 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 576' ' ' GLN . 89.7 t -65.61 126.84 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -88.6 -43.91 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.3 t -169.21 169.37 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 69.2 t -139.96 124.4 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -120.49 134.41 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 600' ' ' ALA . 42.6 mt -115.12 146.19 41.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.9 p -85.2 152.82 58.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -15.25 36.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -57.18 121.77 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 10.1 t -110.32 41.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 597' ' ' GLN . 6.6 m-20 -155.35 -176.73 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 20.3 p90 -37.99 -30.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 595' ' ' ASP . 5.2 mm100 -83.9 38.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 562' ' ' ILE . 15.8 tp -93.25 119.54 32.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 560' ' ' SER . 37.0 mmtm -127.95 172.68 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.27 162.25 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.54 116.32 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 92.1 t -95.22 122.34 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -89.48 140.0 29.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.13 156.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -79.54 -55.0 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 5.3 t30 -92.12 133.29 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 607' ' ' LEU . 0.3 OUTLIER -58.83 -53.31 59.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 611' ' ' ILE . 33.7 tt0 -57.26 -40.04 76.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 79.9 m-20 -52.62 -34.49 51.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -73.77 -49.66 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 608' ' ' GLN . 79.1 mt -42.14 -58.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.34 -45.6 84.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.63 -30.83 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 610' ' ' ALA . 87.2 t -75.42 -66.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -56.05 -20.62 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 64.3 m -87.29 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 620' ' ' TYR . 87.2 mt -66.99 -15.37 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -37.93 123.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.48 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 9.5 mmm180 60.77 35.23 19.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.633 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -63.63 115.56 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -54.27 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.734 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -122.65 157.86 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.494 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.45 -114.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.7 t -124.25 17.65 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -151.01 148.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 626' ' ' LYS . 0.0 OUTLIER -79.56 124.13 28.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.734 HD13 HD12 ' A' ' 622' ' ' ILE . 30.0 pt -83.58 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 12.5 mt -101.56 115.11 29.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 614' ' ' VAL . 2.6 t -95.18 149.18 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 17.5 m -163.52 139.3 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.34 156.96 38.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.59 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -127.94 135.68 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 17.6 m -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -123.2 73.45 0.39 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -125.9 136.13 52.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.2 m -89.93 154.29 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 638' ' ' PRO . . . -68.46 -59.74 5.97 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 637' ' ' GLY . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 8.9 m -110.08 133.28 53.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.2 p -62.79 168.61 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 p -46.99 123.33 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 2.2 m -129.78 95.83 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 142.53 -165.02 26.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 3.4 t -86.03 136.25 33.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 34.1 m -104.12 151.91 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 96.17 69.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -104.78 113.18 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 68.36 -114.71 6.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -133.89 107.02 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.2 125.57 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 579' ' ' PHE . 48.5 t -112.73 107.46 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -73.13 123.68 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.481 HG21 HG23 ' A' ' 602' ' ' VAL . 14.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.81 168.23 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.484 ' ND2' ' HD3' ' A' ' 625' ' ' LYS . 3.9 t30 54.95 51.72 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 571' ' ' LEU . 24.4 mt -95.71 119.05 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' CG ' ' HA3' ' A' ' 623' ' ' GLY . 0.1 OUTLIER -41.77 93.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 598' ' ' LEU . 25.8 p90 -55.98 -40.56 73.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 564' ' ' TYR . 37.6 mtt85 -36.61 -54.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.431 HD11 ' HA2' ' A' ' 623' ' ' GLY . 13.7 mt -55.59 159.13 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.81 161.44 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -63.76 -45.35 90.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 573' ' ' GLN . 1.5 ttmp? -61.98 -33.12 73.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 573' ' ' GLN . 8.1 tp10 -82.03 -24.37 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 562' ' ' ILE . 65.8 mt -83.56 -37.82 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.693 ' HB3' HD11 ' A' ' 590' ' ' LEU . 13.2 pt20 -76.02 -27.18 57.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 574' ' ' LEU . 1.2 pp0? -84.03 -44.92 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.46 ' HG ' ' NE2' ' A' ' 573' ' ' GLN . 38.3 mt -60.51 -53.56 56.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 69.3 mt -52.01 -45.77 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 585' ' ' VAL . 32.2 tt0 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.17 -53.75 54.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.22 -57.6 11.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 557' ' ' VAL . 25.8 m-85 -54.3 -34.99 62.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -56.7 -19.9 19.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -92.97 -65.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -128.1 -119.0 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -133.93 112.06 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 576' ' ' GLN . 69.3 t -67.12 116.62 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -79.3 -40.3 30.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.6 p -172.56 169.29 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.5 126.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.76 138.48 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 572' ' ' GLN . 83.9 mt -116.68 142.47 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 158.75 70.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.717 0.77 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.274 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 598' ' ' LEU . 45.6 m80 -47.47 117.95 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 65.5 p -103.84 34.71 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 598' ' ' LEU . 3.5 m-20 -140.07 -178.29 5.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 44.7 p90 -42.11 -25.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 18.4 mt-30 -83.8 22.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 593' ' ' HIS . 15.1 tp -77.6 113.98 15.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -114.64 179.6 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.88 173.84 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.8 t -143.08 108.18 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.54 HG11 ' CD2' ' A' ' 579' ' ' PHE . 59.2 t -92.25 121.65 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -94.71 137.09 34.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 5.6 mtp -118.32 146.71 44.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.62 -55.4 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . 0.414 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 12.9 t30 -89.6 152.11 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.5 OUTLIER -75.97 -52.84 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 611' ' ' ILE . 27.2 tt0 -58.8 -38.18 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . 0.414 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 13.2 m-20 -53.21 -35.62 60.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 611' ' ' ILE . . . -74.62 -53.69 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 631' ' ' LEU . 80.9 mt -34.94 -62.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -64.26 -43.54 96.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -50.54 -31.85 16.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.51 HG22 HG13 ' A' ' 557' ' ' VAL . 88.5 t -75.01 -66.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -55.69 -19.09 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 68.0 m -89.72 -59.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.91 -7.54 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -49.13 123.49 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 628' ' ' LEU . 10.6 mmt85 63.8 30.72 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 622' ' ' ILE . 2.3 t80 -64.81 112.99 3.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.8 OUTLIER -51.5 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 627' ' ' ILE . 3.9 mt -119.11 156.43 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.485 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 42.48 -113.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.9 m -118.69 0.65 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.484 ' HD3' ' ND2' ' A' ' 561' ' ' ASN . 10.4 ptpt -147.14 158.61 44.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -76.93 147.4 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 622' ' ' ILE . 19.7 pt -100.0 131.72 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 619' ' ' ARG . 45.0 mt -96.0 99.49 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 557' ' ' VAL . 2.6 t -86.35 151.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . 0.487 ' HA ' HG11 ' A' ' 614' ' ' VAL . 3.5 m -166.14 145.71 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 611' ' ' ILE . 30.6 mt -78.37 157.39 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -123.94 114.78 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 12.6 t -106.65 164.33 12.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -96.01 -141.75 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -58.97 148.67 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 88.0 p -45.29 -47.26 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 81.69 150.87 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 120.72 7.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 57.2 p -69.96 149.8 47.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 2.7 m 56.98 42.02 26.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 58.6 m -101.65 134.84 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 32.1 t -72.63 85.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -112.59 -97.28 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 8.3 t -93.66 111.94 23.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.6 t -61.76 160.6 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 65.48 122.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -124.91 39.43 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 81.53 -131.18 10.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -149.17 119.49 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.22 112.88 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 579' ' ' PHE . 54.0 t -98.46 106.68 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.81 118.86 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.522 ' CG1' HD11 ' A' ' 562' ' ' ILE . 40.7 t -102.43 138.66 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.7 167.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.26 52.24 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.522 HD11 ' CG1' ' A' ' 559' ' ' VAL . 23.5 mt -97.45 119.89 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 90.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 562' ' ' ILE . 8.6 p90 -55.7 -30.75 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 565' ' ' ARG . 6.3 mtm105 -39.79 -41.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 69.8 mt -71.88 156.04 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.0 m -73.48 139.02 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -44.15 -54.85 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -54.64 -29.01 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 574' ' ' LEU . 32.6 tt0 -86.41 -20.48 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.501 HD22 ' CG2' ' A' ' 562' ' ' ILE . 33.0 mt -82.42 -43.95 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.445 ' HA ' HG11 ' A' ' 588' ' ' VAL . 12.8 pt20 -68.6 -35.41 77.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -70.19 -42.36 72.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 570' ' ' GLU . 38.6 mt -64.51 -58.02 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.39 -46.13 25.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.78 -41.43 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.65 -52.93 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.42 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' A' ' 617' ' ' LEU . 45.6 m-85 -56.97 -29.01 62.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -56.95 -27.72 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -83.48 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.66 -126.65 2.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -125.19 108.19 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.74 123.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -82.81 -53.18 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 3.5 m -158.88 166.57 31.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 572' ' ' GLN . 95.1 t -138.1 118.76 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -112.21 138.26 49.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 86.2 mt -111.99 141.3 45.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.3 m -74.34 155.24 87.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.704 0.764 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -29.13 24.15 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.474 ' O ' HD13 ' A' ' 598' ' ' LEU . 64.1 m80 -50.21 129.39 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 6.5 t -110.16 29.16 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -134.83 -177.32 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 597' ' ' GLN . 50.4 p90 -45.71 -22.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE2' ' A' ' 596' ' ' TYR . 6.0 mt-30 -87.22 36.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 593' ' ' HIS . 22.3 tp -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -116.37 177.78 4.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -162.62 172.59 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.3 t -143.28 110.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.51 111.77 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -81.52 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 1.1 mtp -115.02 150.25 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.12 -50.45 61.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -100.95 155.46 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.69 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 0.2 OUTLIER -74.76 -60.61 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.66 ' HA ' HD12 ' A' ' 611' ' ' ILE . 29.6 mm-40 -50.01 -44.67 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -49.27 -33.93 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.3 -49.76 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 608' ' ' GLN . 75.0 mt -40.14 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -66.48 -43.55 92.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.27 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 557' ' ' VAL . 96.3 t -73.55 -61.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.67 -15.32 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 67.2 m -92.64 -58.37 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 579' ' ' PHE . 82.8 mt -70.66 -4.45 23.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -49.61 126.01 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 57.99 30.3 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.625 ' HB3' HD11 ' A' ' 627' ' ' ILE . 1.4 t80 -62.28 118.15 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 5.0 tmtm? -56.51 98.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.772 HD12 HD13 ' A' ' 627' ' ' ILE . 4.3 mt -122.62 158.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.508 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 35.12 -114.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 2.1 p -120.53 11.7 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -149.74 156.31 41.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 136.97 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.772 HD13 HD12 ' A' ' 622' ' ' ILE . 15.2 pt -93.03 134.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 31.2 mt -102.88 106.43 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.8 t -86.98 149.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 41.7 m -163.22 137.53 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.73 168.94 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -132.8 161.33 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 33.3 p -109.29 133.85 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 635' ' ' ALA . . . -87.29 178.85 47.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 634' ' ' GLY . . . -37.18 -56.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 34.4 p -80.66 169.36 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -152.76 67.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.57 45.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 96.8 p -103.13 139.96 37.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 88.1 p -124.39 174.2 7.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 1.4 t 57.26 44.16 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.6 t -61.0 132.29 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.96 -43.56 8.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 50.5 m -44.26 112.43 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 45.0 t -53.27 116.83 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -44.13 114.41 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -127.94 -44.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -98.2 -134.92 8.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -113.63 114.56 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.11 112.02 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 579' ' ' PHE . 72.8 t -95.66 105.16 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' A' ' 632' ' ' ALA . 90.4 mt-30 -77.0 116.68 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 562' ' ' ILE . 46.7 t -113.78 125.31 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.5 m -125.82 168.5 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . 0.545 ' ND2' ' NZ ' ' A' ' 625' ' ' LYS . 2.3 t30 67.4 39.86 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 559' ' ' VAL . 57.4 mt -92.93 119.88 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 625' ' ' LYS . 14.1 t0 -42.44 119.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 565' ' ' ARG . 7.3 p90 -76.82 -41.73 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 564' ' ' TYR . 68.6 mtp180 -33.74 -48.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.634 HD11 ' HA2' ' A' ' 623' ' ' GLY . 96.3 mt -61.9 143.1 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 19.3 m -65.1 150.92 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -53.02 -43.87 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 570' ' ' GLU . 0.4 OUTLIER -64.8 -45.15 87.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 569' ' ' LYS . 12.7 tp10 -58.25 -41.26 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.98 -52.21 26.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.925 ' OE1' HG12 ' A' ' 588' ' ' VAL . 3.7 mm100 -41.69 -59.39 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 574' ' ' LEU . 18.6 pt20 -57.93 -49.82 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 573' ' ' GLN . 38.9 mt -49.05 -64.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 43.3 mt -46.55 -52.96 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 580' ' ' ALA . 37.2 tt0 -52.96 -45.03 67.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -57.44 -54.25 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.41 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.791 ' CE1' HD12 ' A' ' 617' ' ' LEU . 52.2 m-85 -56.01 -33.75 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 576' ' ' GLN . . . -61.02 -40.91 95.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -56.84 -27.88 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -83.73 -66.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.31 -126.88 2.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 605' ' ' GLU . 20.3 tptt -126.9 110.01 12.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.29 130.8 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -93.52 -53.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 1.9 m -152.46 164.05 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.925 HG12 ' OE1' ' A' ' 572' ' ' GLN . 96.7 t -135.47 112.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -107.2 147.29 30.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.82 HD11 ' HG2' ' A' ' 572' ' ' GLN . 75.9 mt -121.31 150.3 41.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.498 ' OG ' HD12 ' A' ' 598' ' ' LEU . 97.1 p -84.49 148.56 52.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.709 0.766 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -5.46 16.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -75.15 122.7 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 34.5 p -105.24 34.89 3.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 597' ' ' GLN . 59.7 m-20 -140.66 -179.85 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -40.44 -27.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 595' ' ' ASP . 10.4 mt-30 -85.09 42.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.498 HD12 ' OG ' ' A' ' 591' ' ' SER . 19.7 tp -92.66 117.9 30.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -116.33 179.22 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . . . . . . . . . . . -166.54 160.16 15.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.19 118.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 579' ' ' PHE . 86.5 t -103.21 108.78 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -83.5 133.36 34.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -111.54 151.55 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.405 ' CD ' ' HG2' ' A' ' 584' ' ' LYS . 17.6 mt-10 -66.11 -52.07 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . 0.431 ' HB3' ' CG ' ' A' ' 609' ' ' ASP . 4.4 t30 -102.25 143.16 32.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.73 ' HA ' ' HB2' ' A' ' 555' ' ' ALA . 1.3 tm? -61.83 -59.18 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -51.26 -40.96 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . 0.431 ' CG ' ' HB3' ' A' ' 606' ' ' ASN . 3.6 m-20 -51.15 -33.84 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.75 -48.93 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 610' ' ' ALA . 76.1 mt -36.5 -65.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.06 82.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -46.21 -33.08 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.664 ' HA ' HG11 ' A' ' 629' ' ' VAL . 97.4 t -74.64 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.12 -15.94 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 52.9 m -92.1 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.791 HD12 ' CE1' ' A' ' 579' ' ' PHE . 69.2 mt -65.72 -18.29 65.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -40.38 123.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 627' ' ' ILE . 9.8 mmm-85 62.36 35.75 14.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.585 ' CE2' HD11 ' A' ' 622' ' ' ILE . 2.1 t80 -71.32 117.37 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -54.97 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.632 HD12 HD13 ' A' ' 627' ' ' ILE . 3.7 mt -126.33 158.96 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.634 ' HA2' HD11 ' A' ' 566' ' ' LEU . . . 38.54 -113.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.476 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 4.8 t -122.85 10.62 9.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.545 ' NZ ' ' ND2' ' A' ' 561' ' ' ASN . 1.9 ptmm? -154.23 143.85 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -66.68 144.33 56.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.632 HD13 HD12 ' A' ' 622' ' ' ILE . 32.1 pt -98.97 146.56 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.1 107.08 16.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.664 HG11 ' HA ' ' A' ' 614' ' ' VAL . 10.7 t -86.31 150.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . . . . . . . . . 70.4 m -166.78 140.98 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 52.5 mt -74.63 165.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 558' ' ' GLN . . . -136.12 154.52 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 15.2 t -54.19 132.96 44.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -119.15 -96.13 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.49 105.1 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 3.4 t -48.39 157.48 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -51.72 146.07 13.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 31.9 m 53.91 41.35 32.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.5 m 64.45 42.29 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.8 p 44.47 42.09 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 92.9 p -100.87 139.72 36.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 157.29 -161.52 31.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' SER . . . . . . . . . . . . . 88.4 p -121.18 135.58 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 110.826 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 3.6 m -129.73 121.48 26.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -149.97 96.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.65 121.44 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 161.01 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 607' ' ' LEU . . . -109.94 110.79 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 632' ' ' ALA . 1.0 OUTLIER -102.72 107.04 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 579' ' ' PHE . 66.6 t -91.84 104.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 630' ' ' SER . 35.1 mt-30 -71.68 109.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.07 127.11 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.4 m -131.31 167.55 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.72 35.45 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.579 ' CG2' HD22 ' A' ' 571' ' ' LEU . 41.0 mt -79.53 117.49 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.18 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 565' ' ' ARG . 30.7 p90 -71.25 -42.75 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 564' ' ' TYR . 53.0 mtp180 -34.1 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.47 148.3 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 12.5 p -70.65 136.38 49.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -43.28 -50.4 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -52.84 -43.32 65.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.17 -19.98 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.579 HD22 ' CG2' ' A' ' 562' ' ' ILE . 32.7 mt -79.47 -57.74 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' GLN . . . . . 0.656 ' HB3' HD11 ' A' ' 590' ' ' LEU . 3.5 pt20 -59.28 -27.52 65.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 574' ' ' LEU . 4.2 pt20 -80.6 -45.7 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 573' ' ' GLN . 28.4 mt -59.25 -52.96 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 75.3 mt -54.06 -46.67 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.35 -36.82 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.89 -54.11 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.59 -59.54 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 557' ' ' VAL . 44.0 m-85 -54.71 -33.28 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.86 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -58.38 -21.75 51.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.92 -67.5 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -127.18 -128.39 3.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -123.87 111.77 16.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.4 131.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -90.06 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 4.4 t -158.1 172.89 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.21 117.31 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -113.79 136.22 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 600' ' ' ALA . 35.1 mt -117.8 148.54 41.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 3.6 p -81.7 155.04 71.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.46 30.82 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 598' ' ' LEU . 65.2 m80 -68.34 108.51 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' THR . . . . . . . . . . . . . 8.9 t -93.89 21.73 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 597' ' ' GLN . 1.8 m-20 -129.11 -178.54 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 595' ' ' ASP . 9.1 p90 -38.18 -30.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 593' ' ' HIS . 6.9 mt-30 -82.44 38.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 593' ' ' HIS . 58.2 tp -89.1 129.6 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -133.28 166.93 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' ALA . . . . . 0.768 ' HB2' HD23 ' A' ' 590' ' ' LEU . . . -162.79 155.62 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 69.5 t -124.7 119.77 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 579' ' ' PHE . 89.7 t -97.37 108.52 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -81.79 131.75 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.39 146.97 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.46 -56.2 24.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -95.49 159.9 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.525 ' C ' HD13 ' A' ' 607' ' ' LEU . 0.9 OUTLIER -78.22 -57.12 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . 0.715 ' HA ' HD12 ' A' ' 611' ' ' ILE . 0.0 OUTLIER -52.89 -49.99 64.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.89 -36.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 614' ' ' VAL . . . -74.12 -49.77 22.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 608' ' ' GLN . 82.7 mt -37.51 -62.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . -62.06 -48.03 85.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ALA . . . . . . . . . . . . . . . -49.03 -31.87 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' VAL . . . . . 0.544 ' HA ' HG11 ' A' ' 629' ' ' VAL . 95.5 t -74.84 -66.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -56.48 -20.21 19.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 55.6 m -86.8 -59.72 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 579' ' ' PHE . 71.7 mt -66.27 -18.91 65.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -36.93 118.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 68.48 36.66 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' TYR . . . . . 0.622 ' HB3' HD11 ' A' ' 627' ' ' ILE . 3.0 t80 -67.17 108.57 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.18 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 627' ' ' ILE . 3.4 mt -118.03 156.78 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 622' ' ' ILE . . . 34.3 -114.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 3.6 m -123.14 11.04 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 625' ' ' LYS . 2.2 mtpm? -142.38 147.17 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -82.69 119.81 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.636 HD13 HD12 ' A' ' 622' ' ' ILE . 25.4 pt -79.03 136.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.51 115.22 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 614' ' ' VAL . 2.9 t -90.6 148.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 558' ' ' GLN . 1.2 p -160.93 138.42 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.26 159.93 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 556' ' ' ASP . . . -121.47 -179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' THR . . . . . . . . . . . . . 96.4 m -108.42 100.14 9.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -130.72 -92.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' ALA . . . . . . . . . . . . . . . -76.91 103.73 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' SER . . . . . . . . . . . . . 95.6 p -157.2 129.96 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 122.79 84.27 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.27 37.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.4 m 39.81 53.97 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.8 t -81.07 149.1 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.436 -179.98 . . . . . . . . 0 0 . 1 stop_ save_